1-[(4-tert-butylphenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)C)C)OC

InChI

InChI=1S/C25H36N2O3S/c1-18-16-23(30-7)19(2)20(3)24(18)31(28,29)27-14-12-26(13-15-27)17-21-8-10-22(11-9-21)25(4,5)6/h8-11,16H,12-15,17H2,1-7H3