[3-azanyl-3-(phenylsulfonylamino)propanoyl] 2-(2-piperidin-4-ylethylsulfanyl)-1H-imidazole-5-carboxylate

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 2-(2-piperidin-4-ylethylsulfanyl)-1H-imidazole-5-carboxylate Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 2-[2-(4-piperidyl)ethylsulfanyl]-1H-imidazole-5-carboxylate CAS Name: 2-[2-(4-piperidinyl)ethylthio]-1H-imidazole-5-carboxylic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 2-(2-piperidin-4-ylethylsulfanyl)-1H-imidazole-5-carboxylate Traditional Name: 2-[2-(4-piperidyl)ethylthio]-1H-imidazole-5-carboxylic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester Formula: C20H27N5O5S2 MolecularWeight: 481.58888

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCSC2=NC=C(N2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCSC2=NC=C(N2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O5S2/c21-17(25-32(28,29)15-4-2-1-3-5-15)12-18(26)30-19(27)16-13-23-20(24-16)31-11-8-14-6-9-22-10-7-14/h1-5,13-14,17,22,25H,6-12,21H2,(H,23,24)