3-cyanopropyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: 3-cyanopropyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: 3-cyanopropyl 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid 3-cyanopropyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCCCC#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCCCC#N

InChI

InChI=1S/C22H30N4O5S/c1-2-3-11-26-20-7-6-18(32(28,29)25-12-15-30-16-13-25)17-19(20)24-21(26)8-9-22(27)31-14-5-4-10-23/h6-7,17H,2-5,8-9,11-16H2,1H3