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

Systemtic Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(4-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=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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