phenyl 3-(3-methoxypiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-methoxypiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 4-(isopropylsulfonylsulfonylamino)-3-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(3-methoxy-1-piperazinyl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-methoxypiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Traditional Name: 4-(isopropylsulfonylsulfonylamino)-3-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C20H27N3O8S3 MolecularWeight: 533.63868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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