N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]naphthalene-2-sulfonamide

Systemtic Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]naphthalene-2-sulfonamide Openeye Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide Traditional Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]naphthalene-2-sulfonamide Formula: C20H23N2O2S2+ MolecularWeight: 387.53882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CSC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CSC=C4

InChI

InChI=1S/C20H22N2O2S2/c23-26(24,19-8-7-16-5-1-2-6-17(16)13-19)21-14-20(18-9-12-25-15-18)22-10-3-4-11-22/h1-2,5-9,12-13,15,20-21H,3-4,10-11,14H2/p+1/t20-/m1/s1