N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-4-(2-ketopyrrolidino)-3-methyl-benzenesulfonamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3)N4CCCC4=O

InChI

InChI=1S/C21H22N4O3S/c1-16-13-19(8-9-20(16)25-11-2-3-21(25)26)29(27,28)23-14-17-4-6-18(7-5-17)24-12-10-22-15-24/h4-10,12-13,15,23H,2-3,11,14H2,1H3