ethyl (3S)-1-[6-(ethylsulfonylamino)-3-methyl-2-phenyl-benzimidazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[6-(ethylsulfonylamino)-3-methyl-2-phenyl-benzimidazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-(ethylsulfonylamino)-3-methyl-2-phenyl-benzimidazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[6-(ethylsulfonylamino)-3-methyl-2-phenyl-4-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-(ethylsulfonylamino)-3-methyl-2-phenylbenzimidazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-(esylamino)-3-methyl-2-phenyl-benzimidazole-4-carbonyl]nipecotic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C(=N3)C4=CC=CC=C4)C)NS(=O)(=O)CC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C(=N3)C4=CC=CC=C4)C)NS(=O)(=O)CC

InChI

InChI=1S/C25H30N4O5S/c1-4-34-25(31)18-12-9-13-29(16-18)24(30)20-14-19(27-35(32,33)5-2)15-21-22(20)28(3)23(26-21)17-10-7-6-8-11-17/h6-8,10-11,14-15,18,27H,4-5,9,12-13,16H2,1-3H3/t18-/m0/s1