N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C22H26FN5O3S MolecularWeight: 459.536943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26FN5O3S/c23-17-8-10-18(11-9-17)32(30,31)28-14-4-13-27(15-16-28)22(29)24-12-3-7-21-25-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2,(H,24,29)(H,25,26)