2-[ethyl-(phenylmethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[ethyl-(phenylmethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 2-[benzyl(ethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid CAS Name: 2-[ethyl-(phenylmethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[benzyl(ethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 2-[benzyl(ethyl)amino]-5-[(4-ethylphenyl)sulfonylamino]nicotinic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N(CC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N(CC)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-3-17-10-12-20(13-11-17)31(29,30)25-19-14-21(23(27)28)22(24-15-19)26(4-2)16-18-8-6-5-7-9-18/h5-15,25H,3-4,16H2,1-2H3,(H,27,28)