N-(4-butylphenyl)-2,5-dimethyl-1-(phenylsulfonyl)pyrrole-3-sulfonamide

Systemtic Name: N-(4-butylphenyl)-2,5-dimethyl-1-(phenylsulfonyl)pyrrole-3-sulfonamide Openeye Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)-2,5-dimethyl-pyrrole-3-sulfonamide CAS Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)-2,5-dimethyl-3-pyrrolesulfonamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)-2,5-dimethylpyrrole-3-sulfonamide Traditional Name: 1-besyl-N-(4-butylphenyl)-2,5-dimethyl-pyrrole-3-sulfonamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2)C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2)C)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O4S2/c1-4-5-9-19-12-14-20(15-13-19)23-29(25,26)22-16-17(2)24(18(22)3)30(27,28)21-10-7-6-8-11-21/h6-8,10-16,23H,4-5,9H2,1-3H3