(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-pyrrolidinosulfonylphenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c1-16(24-14-4-6-19(24)20-7-5-15-28-20)21(25)22-17-8-10-18(11-9-17)29(26,27)23-12-2-3-13-23/h5,7-11,15-16,19H,2-4,6,12-14H2,1H3,(H,22,25)/p+1/t16-,19-/m1/s1