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

Systemtic Name: phenyl 4-[3-(phenylsulfonyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-isopropylsulfonyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-(3-besylpiperazino)-3-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O7S3 MolecularWeight: 564.69402

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O7S3/c1-19(2)35(28,29)24-17-22(37(32,33)34-20-9-5-3-6-10-20)13-14-23(24)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