(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-4-(methylthio)butyramide Formula: C21H36N3O3S2+ MolecularWeight: 442.65884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H35N3O3S2/c1-15(2)24-11-8-18(9-12-24)22-21(25)19(10-13-28-5)23-29(26,27)20-14-16(3)6-7-17(20)4/h6-7,14-15,18-19,23H,8-13H2,1-5H3,(H,22,25)/p+1/t19-/m0/s1