2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butanamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butanamide Traditional Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butyramide Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-2-21(22(27)24-17-18-7-4-3-5-8-18)25-13-6-14-26(16-15-25)30(28,29)20-11-9-19(23)10-12-20/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,24,27)