3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-oxo-1-azepanyl)propyl]propanamide IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-oxoazepan-1-yl)propyl]propanamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-(N-tosylanilino)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCCN2CCCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCCN2CCCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-21-12-14-23(15-13-21)33(31,32)28(22-9-4-2-5-10-22)20-16-24(29)26-17-8-19-27-18-7-3-6-11-25(27)30/h2,4-5,9-10,12-15H,3,6-8,11,16-20H2,1H3,(H,26,29)