N-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-3-methyl-benzamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-3-methyl-benzamide CAS Name: N-[2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-3-methylbenzamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-3-methyl-benzamide Formula: C26H26FN3O4S MolecularWeight: 495.565743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O4S/c1-19-6-4-7-20(18-19)25(31)28-24-9-3-2-8-23(24)26(32)29-14-5-15-30(17-16-29)35(33,34)22-12-10-21(27)11-13-22/h2-4,6-13,18H,5,14-17H2,1H3,(H,28,31)