2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acetamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H27N5O4S2/c1-15(28)23-16-8-10-17(11-9-16)33(30,31)27(2)14-21(29)24-20(12-13-32-3)22-25-18-6-4-5-7-19(18)26-22/h4-11,20H,12-14H2,1-3H3,(H,23,28)(H,24,29)(H,25,26)