2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(3-methoxypropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C21H27ClN4O6S MolecularWeight: 498.98028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O6S/c1-23-10-3-5-17(23)14-25(16-6-7-16)21(27)15-24(11-4-12-32-2)33(30,31)18-8-9-19(22)20(13-18)26(28)29/h3,5,8-10,13,16H,4,6-7,11-12,14-15H2,1-2H3