ethyl 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]nipecotic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-2-28-21(25)16-9-6-12-24(14-16)29(26,27)17-10-11-18-19(13-17)23-20(22-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3,(H,22,23)