N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,6-bis(chloranyl)benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,6-bis(chloranyl)benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,6-dichloro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,6-dichlorobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,6-dichlorobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,6-dichloro-benzenesulfonamide Formula: C19H22Cl2N2O5S2 MolecularWeight: 493.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O5S2/c1-28-18-10-9-14(30(26,27)23-11-4-2-3-5-12-23)13-17(18)22-29(24,25)19-15(20)7-6-8-16(19)21/h6-10,13,22H,2-5,11-12H2,1H3