(2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(1-ethyl-4-piperidin-1-iumyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C20H32N3O3S2+ MolecularWeight: 426.61638

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3S2/c1-3-23-13-9-18(10-14-23)21-20(24)19(11-15-27-2)22-28(25,26)16-12-17-7-5-4-6-8-17/h4-8,12,16,18-19,22H,3,9-11,13-15H2,1-2H3,(H,21,24)/p+1/b16-12+/t19-/m0/s1