4-(azepan-1-ylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(R)-cyano-(4-fluorophenyl)methyl]benzamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c22-18-9-5-16(6-10-18)20(15-23)24-21(26)17-7-11-19(12-8-17)29(27,28)25-13-3-1-2-4-14-25/h5-12,20H,1-4,13-14H2,(H,24,26)/t20-/m0/s1