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

Systemtic Name: phenyl 3-(2-methylpropyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-isobutyl-4-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 3-(2-methylpropyl)-4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-methylpropyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-isobutyl-4-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C23H32N2O5S2 MolecularWeight: 480.64058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H32N2O5S2/c1-17(2)14-19-15-21(32(28,29)30-20-8-6-5-7-9-20)10-11-22(19)25-13-12-24-23(16-25)31(26,27)18(3)4/h5-11,15,17-18,23-24H,12-14,16H2,1-4H3