N-[[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

Systemtic Name: N-[[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Openeye Name: N-[[(3S)-1-[(E)-3-(3-pyridyl)prop-2-enoyl]-3-piperidyl]methyl]thiophene-2-sulfonamide CAS Name: N-[[(3S)-1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-3-piperidinyl]methyl]-2-thiophenesulfonamide IUPAC Name: N-[[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Traditional Name: N-[[(3S)-1-[(E)-3-(3-pyridyl)acryloyl]-3-piperidyl]methyl]thiophene-2-sulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CN=CC=C2)CNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CN=CC=C2)CNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S2/c22-17(8-7-15-4-1-9-19-12-15)21-10-2-5-16(14-21)13-20-26(23,24)18-6-3-11-25-18/h1,3-4,6-9,11-12,16,20H,2,5,10,13-14H2/b8-7+/t16-/m1/s1