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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-cyano-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-cyano-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-cyanobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-cyanobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-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=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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