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

Systemtic Name: phenyl 4-(3-propan-2-ylsulfonylpiperazin-1-yl)-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-isopropylsulfonylpiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-(3-propan-2-ylsulfonyl-1-piperazinyl)-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-propan-2-ylsulfonylpiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-isopropylsulfonylpiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H30N2O5S2/c1-4-8-18-15-20(31(27,28)29-19-9-6-5-7-10-19)11-12-21(18)24-14-13-23-22(16-24)30(25,26)17(2)3/h5-7,9-12,15,17,22-23H,4,8,13-14,16H2,1-3H3