phenyl 4-(2-methyl-4-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(2-methyl-4-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-isopropylsulfonyl-2-methyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(2-methyl-4-propan-2-ylsulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-methyl-4-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-isopropylsulfonyl-2-methyl-phenyl)piperazine-2-sulfonic 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)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

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