methyl 4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-propyl]benzoate

Systemtic Name: methyl 4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-propyl]benzoate Openeye Name: methyl 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)propyl]benzoate CAS Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridinyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-ylpropyl]benzoate Traditional Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)propyl]benzoic acid methyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC(C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC(C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-29-22(26)17-7-4-16(5-8-17)6-13-21(18-3-2-14-24-15-18)25-30(27,28)20-11-9-19(23)10-12-20/h2-5,7-12,14-15,21,25H,6,13H2,1H3