N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5,6-bis(chloranyl)pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5,6-bis(chloranyl)pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5,6-dichloro-pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5,6-dichloro-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5,6-dichloropyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5,6-dichloro-nicotinamide Formula: C19H21Cl2N3O3S MolecularWeight: 442.35934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H21Cl2N3O3S/c1-13-6-7-15(23-19(25)14-10-16(20)18(21)22-12-14)11-17(13)28(26,27)24-8-4-2-3-5-9-24/h6-7,10-12H,2-5,8-9H2,1H3,(H,23,25)