N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-cyanobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-cyanobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23N3O3S/c1-16-6-11-19(23-21(25)18-9-7-17(15-22)8-10-18)14-20(16)28(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)