N-methylsulfonyl-4-[4-[(2S)-3-oxidanyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenoxy]quinoline-7-carboxamide

Systemtic Name: N-methylsulfonyl-4-[4-[(2S)-3-oxidanyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenoxy]quinoline-7-carboxamide Openeye Name: 4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]propyl]phenoxy]-N-methylsulfonyl-quinoline-7-carboxamide CAS Name: 4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]-N-methylsulfonyl-7-quinolinecarboxamide IUPAC Name: 4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]-N-methylsulfonylquinoline-7-carboxamide Traditional Name: 4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]propyl]phenoxy]-N-mesyl-quinoline-7-carboxamide Formula: C29H31N3O7S MolecularWeight: 565.63734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC2=NC=CC(=C2C=C1)OC3=CC=C(C=C3)CC(CO)NCC(COC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC2=NC=CC(=C2C=C1)OC3=CC=C(C=C3)C[C@@H](CO)NC[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C29H31N3O7S/c1-40(36,37)32-29(35)21-9-12-26-27(16-21)30-14-13-28(26)39-25-10-7-20(8-11-25)15-22(18-33)31-17-23(34)19-38-24-5-3-2-4-6-24/h2-14,16,22-23,31,33-34H,15,17-19H2,1H3,(H,32,35)/t22-,23-/m0/s1