1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-16-14-20(26-4)17(2)18(3)21(16)27(24,25)23-12-10-22(11-13-23)15-19-8-6-5-7-9-19/h5-9,14H,10-13,15H2,1-4H3