N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-methyl-anilino)propionamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-17-9-11-19(12-10-17)23(27(3,25)26)18(2)20(24)21-13-8-16-22-14-6-4-5-7-15-22/h9-12,18H,4-8,13-16H2,1-3H3,(H,21,24)