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

Systemtic Name: 3-(phenylmethyl)-1-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 3-benzyl-1-(2-benzyl-4-isopropylsulfonyl-phenyl)piperazine CAS Name: 3-(phenylmethyl)-1-[2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-benzyl-1-(2-benzyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-benzyl-1-(2-benzyl-4-isopropylsulfonyl-phenyl)piperazine Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2S/c1-21(2)32(30,31)26-13-14-27(24(19-26)17-22-9-5-3-6-10-22)29-16-15-28-25(20-29)18-23-11-7-4-8-12-23/h3-14,19,21,25,28H,15-18,20H2,1-2H3