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

Systemtic Name: 4-chloranyl-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-cyclohexyl-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-cyclohexyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H28ClN3O4S/c1-19-8-5-6-9-20(19)17-27-15-7-12-22(27)18-28(21-10-3-2-4-11-21)34(32,33)23-13-14-24(26)25(16-23)29(30)31/h5-9,12-16,21H,2-4,10-11,17-18H2,1H3