N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5,6-bis(chloranyl)pyridine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5,6-bis(chloranyl)pyridine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5,6-dichloro-pyridine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5,6-dichloro-3-pyridinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5,6-dichloropyridine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5,6-dichloro-nicotinamide Formula: C19H21Cl2N3O4S MolecularWeight: 458.35874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(N=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(N=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O4S/c1-28-17-7-6-14(29(26,27)24-8-4-2-3-5-9-24)11-16(17)23-19(25)13-10-15(20)18(21)22-12-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,23,25)