ethyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(3-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(3-pyridinylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(3-pyridylmethyl)amino]methyl]benzoic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-2-29-22(26)19-7-5-17(6-8-19)15-25(16-18-4-3-13-24-14-18)30(27,28)21-11-9-20(23)10-12-21/h3-14H,2,15-16H2,1H3