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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H23N3O3S/c22-14-13-17-5-9-19(10-6-17)23-21(25)18-7-11-20(12-8-18)28(26,27)24-15-3-1-2-4-16-24/h5-12H,1-4,13,15-16H2,(H,23,25)