(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2S)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2S)-N-[2-(2-thienyl)ethyl]-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)[C@@H](C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-17-6-8-20(9-7-17)29(26,27)24-13-4-12-23(14-15-24)18(2)21(25)22-11-10-19-5-3-16-28-19/h3,5-9,16,18H,4,10-15H2,1-2H3,(H,22,25)/t18-/m0/s1