methyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-(4-p-phenetylsulfonylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O6S/c1-3-29-18-7-9-19(10-8-18)30(26,27)23-13-11-22(12-14-23)20(24)16-5-4-6-17(15-16)21(25)28-2/h4-10,15H,3,11-14H2,1-2H3