N-[(1S,5S)-8-[2-methoxy-3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide

Systemtic Name: N-[(1S,5S)-8-[2-methoxy-3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide Openeye Name: 1-isopropyl-N-[(1S,5S)-8-[2-methoxy-3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-quinoline-3-carboxamide CAS Name: N-[(1S,5S)-8-[2-methoxy-3-[4-(methylsulfonylmethylsulfonyl)-1-piperazinyl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-yl-3-quinolinecarboxamide IUPAC Name: N-[(1S,5S)-8-[2-methoxy-3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide Traditional Name: 1-isopropyl-2-keto-N-[(1S,5S)-8-[3-[4-(mesylmethylsulfonyl)piperazino]-2-methoxy-propyl]-8-azabicyclo[3.2.1]octan-3-yl]quinoline-3-carboxamide Formula: C30H45N5O7S2 MolecularWeight: 651.8376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CC(CN5CCN(CC5)S(=O)(=O)CS(=O)(=O)C)OC

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3C[C@@H]4CC[C@@H](C3)N4CC(CN5CCN(CC5)S(=O)(=O)CS(=O)(=O)C)OC

InChI

InChI=1S/C30H45N5O7S2/c1-21(2)35-28-8-6-5-7-22(28)15-27(30(35)37)29(36)31-23-16-24-9-10-25(17-23)34(24)19-26(42-3)18-32-11-13-33(14-12-32)44(40,41)20-43(4,38)39/h5-8,15,21,23-26H,9-14,16-20H2,1-4H3,(H,31,36)/t24-,25-,26?/m0/s1