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

Systemtic Name: 1-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-(2-benzyl-4-isopropylsulfonyl-phenyl)piperazine CAS Name: 3-(benzenesulfonyl)-1-[2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-(2-benzyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-benzyl-4-isopropylsulfonyl-phenyl)-3-besyl-piperazine Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S2/c1-20(2)33(29,30)24-13-14-25(22(18-24)17-21-9-5-3-6-10-21)28-16-15-27-26(19-28)34(31,32)23-11-7-4-8-12-23/h3-14,18,20,26-27H,15-17,19H2,1-2H3