4-(azepan-1-ylcarbonyl)-N-[(4-dimethylaminophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(4-dimethylaminophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(4-dimethylaminophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(4-dimethylaminophenyl)methyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(4-dimethylaminophenyl)methyl]-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-[4-(dimethylamino)benzyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C23H34N4O3S MolecularWeight: 446.60606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H34N4O3S/c1-17-21(23(28)27-14-8-6-7-9-15-27)22(18(2)26(17)5)31(29,30)24-16-19-10-12-20(13-11-19)25(3)4/h10-13,24H,6-9,14-16H2,1-5H3