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

Systemtic Name: phenyl 4-(ethoxysulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(ethoxysulfonylamino)-3-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(ethoxysulfonylamino)-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(ethoxysulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(ethoxysulfonylamino)-3-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C21H29N3O8S3 MolecularWeight: 547.66526

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H29N3O8S3/c1-4-31-35(29,30)23-19-11-10-18(34(27,28)32-17-8-6-5-7-9-17)14-20(19)24-13-12-22-21(15-24)33(25,26)16(2)3/h5-11,14,16,21-23H,4,12-13,15H2,1-3H3