2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-prop-2-enyl-amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-prop-2-enyl-amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[allyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C21H27ClN4O5S MolecularWeight: 482.98088

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O5S/c1-5-10-25(32(30,31)18-8-9-19(22)20(12-18)26(28)29)15-21(27)24(13-16(2)3)14-17-7-6-11-23(17)4/h5-9,11-12,16H,1,10,13-15H2,2-4H3