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

Systemtic Name: phenyl 4-(phenoxysulfonylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(3-isopropylsulfonylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate CAS Name: 4-(phenoxysulfonylsulfonylamino)-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(phenoxysulfonylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-(3-isopropylsulfonylpiperazino)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C25H29N3O10S4 MolecularWeight: 659.77186

Click to see the large picture

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)S(=O)(=O)OC4=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)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O10S4/c1-19(2)39(29,30)25-18-28(16-15-26-25)24-17-22(40(31,32)37-20-9-5-3-6-10-20)13-14-23(24)27-41(33,34)42(35,36)38-21-11-7-4-8-12-21/h3-14,17,19,25-27H,15-16,18H2,1-2H3