N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-tosyl-propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C

InChI

InChI=1S/C21H21N3O4S/c1-15-3-9-18(10-4-15)29(27,28)14-11-19(25)23-17-7-5-16(6-8-17)20(26)21-22-12-13-24(21)2/h3-10,12-13H,11,14H2,1-2H3,(H,23,25)