4-propan-2-yl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-propan-2-yl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-isopropyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-propan-2-yl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-propan-2-yl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-isopropyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C19H27N2O2S2+ MolecularWeight: 379.55988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCC3

InChI

InChI=1S/C19H26N2O2S2/c1-15(2)16-5-7-18(8-6-16)25(22,23)20-13-19(17-9-12-24-14-17)21-10-3-4-11-21/h5-9,12,14-15,19-20H,3-4,10-11,13H2,1-2H3/p+1/t19-/m1/s1