1-(2-methyl-4-propan-2-ylsulfonyl-phenyl)-3-(phenylmethyl)piperazine

Systemtic Name: 1-(2-methyl-4-propan-2-ylsulfonyl-phenyl)-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-(4-isopropylsulfonyl-2-methyl-phenyl)piperazine CAS Name: 1-(2-methyl-4-propan-2-ylsulfonylphenyl)-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-(2-methyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-benzyl-1-(4-isopropylsulfonyl-2-methyl-phenyl)piperazine Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-16(2)26(24,25)20-9-10-21(17(3)13-20)23-12-11-22-19(15-23)14-18-7-5-4-6-8-18/h4-10,13,16,19,22H,11-12,14-15H2,1-3H3