N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-cyano-benzenesulfonamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-28-20-11-10-18(30(26,27)23-12-4-2-3-5-13-23)14-19(20)22-29(24,25)17-8-6-16(15-21)7-9-17/h6-11,14,22H,2-5,12-13H2,1H3