N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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