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

Systemtic Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-(4-nitrophenyl)sulfonyl-amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide IUPAC Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl(nosyl)amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-5-12-24(31(29,30)20-10-8-18(9-11-20)25(27)28)16-21(26)23(14-17(2)3)15-19-7-6-13-22(19)4/h5-11,13,17H,1,12,14-16H2,2-4H3