ethyl 4-[4-(3-methylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-methylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methylsulfonyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(3-methylsulfonyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylsulfonyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-keto-3-mesyl-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)S(=O)(=O)C

InChI

InChI=1S/C21H30N4O5S/c1-3-30-21(27)23-14-8-16(9-15-23)22-12-10-17(11-13-22)24-18-6-4-5-7-19(18)25(20(24)26)31(2,28)29/h4-7,16-17H,3,8-15H2,1-2H3