ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-chlorophenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-2-26-19(23)15-6-8-18(9-7-15)27(24,25)22-12-10-21(11-13-22)17-5-3-4-16(20)14-17/h3-9,14H,2,10-13H2,1H3