methyl 2-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]ethanoate

Systemtic Name: methyl 2-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]ethanoate Openeye Name: methyl 2-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]acetate Traditional Name: 2-[3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoylamino]acetic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NCC(=O)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NCC(=O)OC

InChI

InChI=1S/C20H28N4O5S/c1-3-10-24-17-7-6-15(30(27,28)23-11-4-5-12-23)13-16(17)22-18(24)8-9-19(25)21-14-20(26)29-2/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,21,25)