phenyl 4-[3-(phenylmethyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 4-[3-(phenylmethyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-isopropylsulfonyl-benzenesulfonate CAS Name: 4-[3-(phenylmethyl)-1-piperazinyl]-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5S2/c1-20(2)34(29,30)26-18-24(35(31,32)33-23-11-7-4-8-12-23)13-14-25(26)28-16-15-27-22(19-28)17-21-9-5-3-6-10-21/h3-14,18,20,22,27H,15-17,19H2,1-2H3