methyl 5-[[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)OC

InChI

InChI=1S/C19H22ClN3O6S2/c1-28-15-4-3-13(11-14(15)18(24)29-2)12-21-19(25)22-7-9-23(10-8-22)31(26,27)17-6-5-16(20)30-17/h3-6,11H,7-10,12H2,1-2H3,(H,21,25)