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

Systemtic Name: N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methyl]-4-ethoxy-benzenesulfonamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CN2CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CN2CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-27-21-9-11-22(12-10-21)28(25,26)23-15-20-6-5-13-24(20)16-19-14-17(2)7-8-18(19)3/h5-14,23H,4,15-16H2,1-3H3