3-chloranyl-N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-chloro-N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-chloro-N-[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-chloro-N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: 3-chloro-N-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-15-6-7-16(2)17(11-15)14-24-10-4-5-18(24)13-23-28(25,26)19-8-9-21(27-3)20(22)12-19/h4-12,23H,13-14H2,1-3H3