N-[4-[[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]phenyl]pyrrolidine-1-sulfonamide

Systemtic Name: N-[4-[[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]phenyl]pyrrolidine-1-sulfonamide Openeye Name: N-[4-[[5-(2-methylbenzoyl)thiazol-2-yl]amino]phenyl]pyrrolidine-1-sulfonamide CAS Name: N-[4-[[5-[(2-methylphenyl)-oxomethyl]-2-thiazolyl]amino]phenyl]-1-pyrrolidinesulfonamide IUPAC Name: N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]pyrrolidine-1-sulfonamide Traditional Name: N-[4-[(5-o-toluoylthiazol-2-yl)amino]phenyl]pyrrolidine-1-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NC3=CC=C(C=C3)NS(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NC3=CC=C(C=C3)NS(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O3S2/c1-15-6-2-3-7-18(15)20(26)19-14-22-21(29-19)23-16-8-10-17(11-9-16)24-30(27,28)25-12-4-5-13-25/h2-3,6-11,14,24H,4-5,12-13H2,1H3,(H,22,23)