3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-20-7-12-22(13-8-20)26-24(29)19-27(2)25(30)16-11-21-9-14-23(15-10-21)33(31,32)28-17-5-3-4-6-18-28/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,26,29)