phenyl 4-(methoxysulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(methoxysulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(3-isopropylsulfonylpiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate CAS Name: 4-(methoxysulfonylamino)-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(methoxysulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-(3-isopropylsulfonylpiperazino)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C20H27N3O8S3 MolecularWeight: 533.63868

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O8S3/c1-15(2)32(24,25)20-14-23(12-11-21-20)19-13-17(9-10-18(19)22-34(28,29)30-3)33(26,27)31-16-7-5-4-6-8-16/h4-10,13,15,20-22H,11-12,14H2,1-3H3