diphenyl 4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzene-1,3-disulfonate Openeye Name: diphenyl 4-(3-isopropylsulfonylpiperazin-1-yl)benzene-1,3-disulfonate CAS Name: 4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzene-1,3-disulfonate Traditional Name: 4-(3-isopropylsulfonylpiperazino)benzene-1,3-disulfonic acid diphenyl ester Formula: C25H28N2O8S3 MolecularWeight: 580.69342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O8S3/c1-19(2)36(28,29)25-18-27(16-15-26-25)23-14-13-22(37(30,31)34-20-9-5-3-6-10-20)17-24(23)38(32,33)35-21-11-7-4-8-12-21/h3-14,17,19,25-26H,15-16,18H2,1-2H3