3-[3-[2-azanylidene-3-[(3-bromophenyl)methyl]benzimidazol-1-yl]propoxy]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[3-[2-azanylidene-3-[(3-bromophenyl)methyl]benzimidazol-1-yl]propoxy]-N-methylsulfonyl-benzamide Openeye Name: 3-[3-[3-[(3-bromophenyl)methyl]-2-imino-benzimidazol-1-yl]propoxy]-N-methylsulfonyl-benzamide CAS Name: 3-[3-[3-[(3-bromophenyl)methyl]-2-imino-1-benzimidazolyl]propoxy]-N-methylsulfonylbenzamide IUPAC Name: 3-[3-[3-[(3-bromophenyl)methyl]-2-iminobenzimidazol-1-yl]propoxy]-N-methylsulfonylbenzamide Traditional Name: 3-[3-[3-(3-bromobenzyl)-2-imino-benzimidazol-1-yl]propoxy]-N-mesyl-benzamide Formula: C25H25BrN4O4S MolecularWeight: 557.4594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N(C2=N)CC4=CC(=CC=C4)Br

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N(C2=N)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN4O4S/c1-35(32,33)28-24(31)19-8-5-10-21(16-19)34-14-6-13-29-22-11-2-3-12-23(22)30(25(29)27)17-18-7-4-9-20(26)15-18/h2-5,7-12,15-16,27H,6,13-14,17H2,1H3,(H,28,31)