(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CNC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CNC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4O5S/c1-3-29-22-12-11-20(35(32,33)28-13-5-4-6-14-28)15-21(22)27-23(29)17-34-24(30)16-26-25(31)19-9-7-18(2)8-10-19/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,26,31)