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

Systemtic Name: phenyl 3-(3-propan-2-ylsulfonylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-isopropylsulfonylpiperazin-1-yl)-4-(isopropylsulfonylsulfonylamino)benzenesulfonate CAS Name: 3-(3-propan-2-ylsulfonyl-1-piperazinyl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-propan-2-ylsulfonylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-isopropylsulfonylpiperazino)-4-(isopropylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C22H31N3O9S4 MolecularWeight: 609.75624

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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)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O9S4/c1-16(2)35(26,27)22-15-25(13-12-23-22)21-14-19(36(28,29)34-18-8-6-5-7-9-18)10-11-20(21)24-38(32,33)37(30,31)17(3)4/h5-11,14,16-17,22-24H,12-13,15H2,1-4H3