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

Systemtic Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-(4-nitrophenyl)sulfonyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide IUPAC Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl(nosyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-3-12-22(30(28,29)19-10-8-17(9-11-19)24(26)27)15-20(25)23(16-6-7-16)14-18-5-4-13-21(18)2/h3-5,8-11,13,16H,1,6-7,12,14-15H2,2H3