1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-[(4-pyrrol-1-ylphenyl)methyl]piperidine

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-[(4-pyrrol-1-ylphenyl)methyl]piperidine Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-[(4-pyrrol-1-ylphenyl)methyl]piperidine CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-[[4-(1-pyrrolyl)phenyl]methyl]piperidine IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-[(4-pyrrol-1-ylphenyl)methyl]piperidine Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(4-pyrrol-1-ylbenzyl)piperidine Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4)C)C

InChI

InChI=1S/C27H34N2O2S/c1-19-20(2)22(4)27(23(5)21(19)3)32(30,31)29-16-12-25(13-17-29)18-24-8-10-26(11-9-24)28-14-6-7-15-28/h6-11,14-15,25H,12-13,16-18H2,1-5H3