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

Systemtic Name: phenyl 4-[2-[(phenylmethyl)sulfonylamino]-5-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(phenylmethyl)sulfonylamino]-5-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O7S3/c1-20(2)38(32,33)23-13-14-24(28-37(30,31)19-21-9-5-3-6-10-21)25(17-23)29-16-15-27-26(18-29)39(34,35)36-22-11-7-4-8-12-22/h3-14,17,20,26-28H,15-16,18-19H2,1-2H3