N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-pyridine-3-sulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-pyridine-3-sulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-pyridine-3-sulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-chloro-3-pyridinesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-chloropyridine-3-sulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-pyridine-3-sulfonamide Formula: C18H22ClN3O4S2 MolecularWeight: 443.96798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S2/c1-14-8-9-15(21-27(23,24)16-7-6-10-20-18(16)19)13-17(14)28(25,26)22-11-4-2-3-5-12-22/h6-10,13,21H,2-5,11-12H2,1H3