1-methylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2,3-dihydroindole-5-carboxamide Openeye Name: 1-methylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]indoline-5-carboxamide CAS Name: 1-methylsulfonyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: 1-methylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide Traditional Name: 1-mesyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]indoline-5-carboxamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C20H25N3O3S2/c1-28(25,26)23-11-8-15-13-16(6-7-17(15)23)20(24)21-14-18(19-5-4-12-27-19)22-9-2-3-10-22/h4-7,12-13,18H,2-3,8-11,14H2,1H3,(H,21,24)/p+1/t18-/m0/s1