ethyl (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C22H29N3O5S/c1-4-30-22(27)17-6-5-11-24(13-17)14-21(26)20-12-15(2)25(16(20)3)18-7-9-19(10-8-18)31(23,28)29/h7-10,12,17H,4-6,11,13-14H2,1-3H3,(H2,23,28,29)/t17-/m0/s1