phenyl 4-[2-(phenylsulfonylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(phenylsulfonylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-(3-isopropylsulfonylpiperazino)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)C1CN(CCN1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O7S3/c1-21(2)38(31,32)27-20-30(18-17-28-27)26(19-29-39(33,34)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