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

Systemtic Name: (2S)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: (2S)-N-cyclopentyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: (2S)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: (2S)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: (2S)-N-cyclopentyl-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)[C@@H](C)C(=O)NC3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-12-22(14-15-23)17(2)20(24)21-18-6-3-4-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)/t17-/m0/s1