phenyl 3-[3-(phenylmethyl)piperazin-1-yl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonate

Systemtic Name: phenyl 3-[3-(phenylmethyl)piperazin-1-yl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(benzylsulfonylamino)benzenesulfonate CAS Name: 3-[3-(phenylmethyl)-1-piperazinyl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(benzylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-benzylpiperazino)-4-(benzylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C30H31N3O5S2 MolecularWeight: 577.71424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O5S2/c34-39(35,23-25-12-6-2-7-13-25)32-29-17-16-28(40(36,37)38-27-14-8-3-9-15-27)21-30(29)33-19-18-31-26(22-33)20-24-10-4-1-5-11-24/h1-17,21,26,31-32H,18-20,22-23H2