N-(1H-benzimidazol-2-ylmethyl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-methyl-N-tosyl-anilino)propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N4O3S/c1-18-7-11-20(12-8-18)29(33(31,32)21-13-9-19(2)10-14-21)16-15-25(30)26-17-24-27-22-5-3-4-6-23(22)28-24/h3-14H,15-17H2,1-2H3,(H,26,30)(H,27,28)