(2R)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2R)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2R)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: (2R)-2-[(2-methoxyphenyl)sulfonylamino]-4-(methylthio)-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2R)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2R)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-[(2-methoxyphenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C20H34N3O4S2+ MolecularWeight: 444.63166

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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=C2OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H33N3O4S2/c1-15(2)23-12-9-16(10-13-23)21-20(24)17(11-14-28-4)22-29(25,26)19-8-6-5-7-18(19)27-3/h5-8,15-17,22H,9-14H2,1-4H3,(H,21,24)/p+1/t17-/m1/s1