(2S)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-18(2)22(25-30(28,29)21-11-7-4-8-12-21)23(27)24-20-13-15-26(16-14-20)17-19-9-5-3-6-10-19/h3-12,18,20,22,25H,13-17H2,1-2H3,(H,24,27)/p+1/t22-/m0/s1