(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O6S/c1-2-3-13-30-23-10-9-21(37(33,34)29-14-16-35-17-15-29)18-22(23)28-24(30)11-12-26(32)36-19-25(31)27-20-7-5-4-6-8-20/h4-10,18H,2-3,11-17,19H2,1H3,(H,27,31)