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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-chlorobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chlorobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-benzenesulfonamide Formula: C19H23ClN2O5S2 MolecularWeight: 458.97932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O5S2/c1-27-18-11-10-15(29(25,26)22-12-6-2-3-7-13-22)14-17(18)21-28(23,24)19-9-5-4-8-16(19)20/h4-5,8-11,14,21H,2-3,6-7,12-13H2,1H3