(4-pyrrol-1-ylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-pyrrol-1-ylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-pyrrol-1-ylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1-pyrrolyl)phenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-pyrrol-1-ylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-pyrrol-1-ylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C)C

InChI

InChI=1S/C25H29N3O3S/c1-18-17-19(2)21(4)24(20(18)3)32(30,31)28-15-13-27(14-16-28)25(29)22-7-9-23(10-8-22)26-11-5-6-12-26/h5-12,17H,13-16H2,1-4H3