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

Systemtic Name: phenyl 3-methyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(3-isopropylsulfonylpiperazin-1-yl)-3-methyl-benzenesulfonate CAS Name: 3-methyl-4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-methyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(3-isopropylsulfonylpiperazino)-3-methyl-benzenesulfonic acid phenyl ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S2/c1-15(2)28(23,24)20-14-22(12-11-21-20)19-10-9-18(13-16(19)3)29(25,26)27-17-7-5-4-6-8-17/h4-10,13,15,20-21H,11-12,14H2,1-3H3