(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-methyl-2-phenyl-propanoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-methyl-2-phenyl-propanoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-4-28-22-14-13-20(33(30,31)27-15-9-6-10-16-27)17-21(22)26-23(28)18-32-24(29)25(2,3)19-11-7-5-8-12-19/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3