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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-cyanobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-cyanobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyano-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-28-20-10-9-18(29(26,27)24-11-4-2-3-5-12-24)14-19(20)23-21(25)17-8-6-7-16(13-17)15-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)