2-[(4-acetamidophenyl)sulfonyl-prop-2-enyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-prop-2-enyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-allyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-allyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)N(CC2=CC=CN2C)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)N(CC2=CC=CN2C)C3CC3

InChI

InChI=1S/C22H28N4O4S/c1-4-13-25(31(29,30)21-11-7-18(8-12-21)23-17(2)27)16-22(28)26(19-9-10-19)15-20-6-5-14-24(20)3/h4-8,11-12,14,19H,1,9-10,13,15-16H2,2-3H3,(H,23,27)