(2S)-4-methylsulfanyl-2-(phenylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-(methylthio)butyramide Formula: C19H32N3O3S2+ MolecularWeight: 414.60568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S2/c1-15(2)22-12-9-16(10-13-22)20-19(23)18(11-14-26-3)21-27(24,25)17-7-5-4-6-8-17/h4-8,15-16,18,21H,9-14H2,1-3H3,(H,20,23)/p+1/t18-/m0/s1