2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid CAS Name: 2-(1-azepanyl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)sulfonylamino]nicotinic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCCCCC3)OC

InChI

InChI=1S/C20H25N3O6S/c1-28-17-8-7-15(12-18(17)29-2)30(26,27)22-14-11-16(20(24)25)19(21-13-14)23-9-5-3-4-6-10-23/h7-8,11-13,22H,3-6,9-10H2,1-2H3,(H,24,25)