phenyl 4-[5-(2-methylpropyl)-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-(2-methylpropyl)-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-methylpropyl)-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O5S2 MolecularWeight: 543.69802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O5S2/c1-21(2)17-23-13-14-25(29-36(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)37(33,34)35-24-11-7-4-8-12-24/h3-14,18,21,27-29H,15-17,19-20H2,1-2H3