[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S2/c1-14(20(24)17-13-22-18-6-3-2-5-16(17)18)28-21(25)15-8-10-23(11-9-15)30(26,27)19-7-4-12-29-19/h2-7,12-15,22H,8-11H2,1H3