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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-tosylanilino)acetamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-21-12-14-23(15-13-21)31(29,30)27(22-10-5-4-6-11-22)20-24(28)25-16-9-19-26-17-7-2-3-8-18-26/h4-6,10-15H,2-3,7-9,16-20H2,1H3,(H,25,28)