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

Systemtic Name: phenyl 4-(methylsulfanylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(3-isopropylsulfonylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate CAS Name: 4-[(methylthio)sulfonylamino]-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(methylsulfanylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-(3-isopropylsulfonylpiperazino)-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C20H27N3O7S4 MolecularWeight: 549.70428

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O7S4/c1-15(2)32(24,25)20-14-23(12-11-21-20)19-13-17(9-10-18(19)22-34(28,29)31-3)33(26,27)30-16-7-5-4-6-8-16/h4-10,13,15,20-22H,11-12,14H2,1-3H3