phenyl 5-propan-2-ylsulfonyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-propan-2-ylsulfonyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-isopropylsulfonyl-2-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 5-propan-2-ylsulfonyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-propan-2-ylsulfonyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-isopropylsulfonyl-2-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C22H30N2O7S3 MolecularWeight: 530.6778

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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)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S3/c1-16(2)32(25,26)19-10-11-20(24-13-12-23-22(15-24)33(27,28)17(3)4)21(14-19)34(29,30)31-18-8-6-5-7-9-18/h5-11,14,16-17,22-23H,12-13,15H2,1-4H3