4-methyl-N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+]2CCCCC2)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-17-8-10-21(11-9-17)30(28,29)23(18-6-5-7-19(14-18)24(26)27)16-20(25)15-22-12-3-2-4-13-22/h5-11,14,20,25H,2-4,12-13,15-16H2,1H3/p+1/t20-/m0/s1