phenyl 4-[(phenylmethyl)sulfonylamino]-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-[(phenylmethyl)sulfonylamino]-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(benzylsulfonylamino)-3-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 4-[(phenylmethyl)sulfonylamino]-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(benzylsulfonylamino)-3-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

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