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

Systemtic Name: phenyl 4-[1-[3-(phenylsulfonyl)piperazin-1-yl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(isopropylsulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(benzenesulfonyl)-1-piperazinyl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-besylpiperazino)-2-(isopropylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C27H33N3O7S3 MolecularWeight: 607.76182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O7S3/c1-21(2)39(33,34)29-19-26(30-18-17-28-27(20-30)38(31,32)24-11-7-4-8-12-24)22-13-15-25(16-14-22)40(35,36)37-23-9-5-3-6-10-23/h3-16,21,26-29H,17-20H2,1-2H3