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

Systemtic Name: 4-chloranyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-4-chloro-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-prop-2-enylbenzenesulfonamide IUPAC Name: 4-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-4-chloro-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O4S/c1-3-12-25(31(29,30)20-10-11-21(23)22(14-20)26(27)28)16-19-9-6-13-24(19)15-18-8-5-4-7-17(18)2/h3-11,13-14H,1,12,15-16H2,2H3