N-butyl-4-chloranyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-butyl-4-chloranyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Openeye Name: N-butyl-4-chloro-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: N-butyl-4-chloro-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-chloro-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN3O4S/c1-3-4-14-26(32(30,31)21-11-12-22(24)23(15-21)27(28)29)17-20-10-7-13-25(20)16-19-9-6-5-8-18(19)2/h5-13,15H,3-4,14,16-17H2,1-2H3