N-(4-methylphenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]naphthalene-2-sulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]naphthalene-2-sulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(p-tolyl)naphthalene-2-sulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(p-tolyl)naphthalene-2-sulfonamide Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@H](C[NH+]2CCCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H28N2O3S/c1-19-8-11-22(12-9-19)26(18-23(27)17-25-14-4-5-15-25)30(28,29)24-13-10-20-6-2-3-7-21(20)16-24/h2-3,6-13,16,23,27H,4-5,14-15,17-18H2,1H3/p+1/t23-/m0/s1