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

Systemtic Name: (2S)-2-azanyl-3-naphthalen-2-yl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)propanamide hydrochloride Openeye Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-3-(2-naphthyl)propanamide hydrochloride CAS Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]-3-(2-naphthalenyl)propanamide hydrochloride IUPAC Name: (2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-3-naphthalen-2-ylpropanamide hydrochloride Traditional Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-3-(2-naphthyl)propionamide hydrochloride Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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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.Cl

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.Cl

InChI

InChI=1S/C24H28N4O4S.ClH/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);1H/t20-,21?,22?;/m0./s1