(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C19H31ClN3O3S+ MolecularWeight: 416.98574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H30ClN3O3S/c1-13(2)18(22-27(25,26)17-7-5-15(20)6-8-17)19(24)21-16-9-11-23(12-10-16)14(3)4/h5-8,13-14,16,18,22H,9-12H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1