(2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+]2CCCC2C3=CC=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC[C@@H]2C3=CC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c1-16-7-8-18(15-21(16)31(27,28)24-10-12-29-13-11-24)23-22(26)17(2)25-9-3-5-19(25)20-6-4-14-30-20/h4,6-8,14-15,17,19H,3,5,9-13H2,1-2H3,(H,23,26)/p+1/t17-,19+/m0/s1