(2S)-2-azanyl-3-naphthalen-2-yl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)propanamide

Systemtic Name: (2S)-2-azanyl-3-naphthalen-2-yl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)propanamide Openeye Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-3-(2-naphthyl)propanamide CAS Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]-3-(2-naphthalenyl)propanamide IUPAC Name: (2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-3-naphthalen-2-ylpropanamide Traditional Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-3-(2-naphthyl)propionamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)S(=O)(=O)C2=CC=CC=N2)O)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

C1CC(C(CN(C1)S(=O)(=O)C2=CC=CC=N2)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C24H28N4O4S/c25-20(15-17-10-11-18-6-1-2-7-19(18)14-17)24(30)27-21-8-5-13-28(16-22(21)29)33(31,32)23-9-3-4-12-26-23/h1-4,6-7,9-12,14,20-22,29H,5,8,13,15-16,25H2,(H,27,30)/t20-,21?,22?/m0/s1