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

Systemtic Name: phenyl 4-(chloranylsulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(chlorosulfonylamino)-3-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(chlorosulfonylamino)-3-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(chlorosulfonylamino)-3-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(chlorosulfonylamino)-3-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C19H24ClN3O7S3 MolecularWeight: 538.05776

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O7S3/c1-14(2)31(24,25)19-13-23(11-10-21-19)18-12-16(8-9-17(18)22-33(20,28)29)32(26,27)30-15-6-4-3-5-7-15/h3-9,12,14,19,21-22H,10-11,13H2,1-2H3