methyl 2-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]propanoate

Systemtic Name: methyl 2-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]propanoate Openeye Name: methyl 2-[3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoylamino]propanoate CAS Name: 2-[[3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]propanoate Traditional Name: 2-[3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propanoylamino]propionic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)OC)NC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N4O5S/c1-14(20(26)29-3)21-19(25)10-9-18-22-16-13-15(7-8-17(16)23(18)2)30(27,28)24-11-5-4-6-12-24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,21,25)