[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-(4-pyrrol-1-ylphenyl)methanone Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C27H33N3O3S/c1-20-18-23(27(3,4)5)19-21(2)25(20)34(32,33)30-16-14-29(15-17-30)26(31)22-8-10-24(11-9-22)28-12-6-7-13-28/h6-13,18-19H,14-17H2,1-5H3