(2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-1-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-1-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)-4-methylsulfonyl-piperazine-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-methylsulfonylpiperazine-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-besyl-4-mesyl-piperazine-2-carboxamide Formula: C23H27N5O6S2 MolecularWeight: 533.62038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O6S2/c1-35(31,32)27-11-12-28(36(33,34)17-7-3-2-4-8-17)21(15-27)23(30)26-20(22(24)29)13-16-14-25-19-10-6-5-9-18(16)19/h2-10,14,20-21,25H,11-13,15H2,1H3,(H2,24,29)(H,26,30)/t20-,21-/m1/s1