(2S)-2-azanyl-4-methyl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azocan-4-yl)pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azocan-4-yl)pentanamide Openeye Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azocan-4-yl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azocanyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazocan-4-yl)-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azocan-4-yl]-4-methyl-valeramide Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)N

InChI

InChI=1S/C18H30N4O4S/c1-13(2)11-14(19)18(24)21-15-7-4-6-10-22(12-16(15)23)27(25,26)17-8-3-5-9-20-17/h3,5,8-9,13-16,23H,4,6-7,10-12,19H2,1-2H3,(H,21,24)/t14-,15?,16?/m0/s1