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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-bis(chloranyl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dichloro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,3-dichlorobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dichlorobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dichloro-benzenesulfonamide Formula: C19H22Cl2N2O4S2 MolecularWeight: 477.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N2O4S2/c1-14-9-10-15(22-28(24,25)17-8-6-7-16(20)19(17)21)13-18(14)29(26,27)23-11-4-2-3-5-12-23/h6-10,13,22H,2-5,11-12H2,1H3