N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-cyano-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-cyano-benzamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H28N4O4S/c25-18-19-6-5-7-20(16-19)24(29)26-22-17-21(33(30,31)28-12-14-32-15-13-28)8-9-23(22)27-10-3-1-2-4-11-27/h5-9,16-17H,1-4,10-15H2,(H,26,29)