N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,6-bis(chloranyl)pyridine-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,6-bis(chloranyl)pyridine-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,6-dichloro-pyridine-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3,6-dichloro-2-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,6-dichloropyridine-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,6-dichloro-picolinamide Formula: C19H21Cl2N3O3S MolecularWeight: 442.35934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl)S(=O)(=O)N3CCCCCC3

InChI

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