3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(1-methyl-2-benzimidazolyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25ClN4O3S/c1-26-19-9-5-4-8-18(19)25-21(26)15-24-22(28)16-10-11-17(23)20(14-16)31(29,30)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)