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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-cyanobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyanobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O3S/c21-15-16-6-5-7-17(14-16)20(24)22-18-8-10-19(11-9-18)27(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H,22,24)