phenyl 2-[3-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 2-[3-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-isopropylsulfonyl-benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O7S3 MolecularWeight: 564.69402

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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)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O7S3/c1-19(2)35(28,29)22-13-14-23(24(17-22)37(32,33)34-20-9-5-3-6-10-20)27-16-15-26-25(18-27)36(30,31)21-11-7-4-8-12-21/h3-14,17,19,25-26H,15-16,18H2,1-2H3