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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromanyl-2,6-bis(chloranyl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromo-2,6-dichloro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-bromo-2,6-dichlorobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-bromo-2,6-dichlorobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromo-2,6-dichloro-benzenesulfonamide Formula: C19H21BrCl2N2O4S2 MolecularWeight: 556.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2Cl)Br)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2Cl)Br)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H21BrCl2N2O4S2/c1-13-6-7-15(12-18(13)30(27,28)24-8-4-2-3-5-9-24)23-29(25,26)19-16(21)10-14(20)11-17(19)22/h6-7,10-12,23H,2-5,8-9H2,1H3