methyl 4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-(4-p-cumenylsulfonylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16(2)17-8-10-20(11-9-17)30(27,28)24-14-12-23(13-15-24)21(25)18-4-6-19(7-5-18)22(26)29-3/h4-11,16H,12-15H2,1-3H3