N-[[(3S)-1-[2-(2-phenylimidazol-1-yl)ethanoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

Systemtic Name: N-[[(3S)-1-[2-(2-phenylimidazol-1-yl)ethanoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Openeye Name: N-[[(3S)-1-[2-(2-phenylimidazol-1-yl)acetyl]-3-piperidyl]methyl]thiophene-2-sulfonamide CAS Name: N-[[(3S)-1-[1-oxo-2-(2-phenyl-1-imidazolyl)ethyl]-3-piperidinyl]methyl]-2-thiophenesulfonamide IUPAC Name: N-[[(3S)-1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Traditional Name: N-[[(3S)-1-[2-(2-phenylimidazol-1-yl)acetyl]-3-piperidyl]methyl]thiophene-2-sulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=CN=C2C3=CC=CC=C3)CNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=CN=C2C3=CC=CC=C3)CNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c26-19(16-25-12-10-22-21(25)18-7-2-1-3-8-18)24-11-4-6-17(15-24)14-23-30(27,28)20-9-5-13-29-20/h1-3,5,7-10,12-13,17,23H,4,6,11,14-16H2/t17-/m1/s1