(2R)-2-(4-nitrophenyl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2R)-2-(4-nitrophenyl)sulfonyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-nosyl-propionamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N[C@H]1CC[NH+](C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-15(29(27,28)19-9-7-18(8-10-19)23(25)26)20(24)21-17-11-12-22(14-17)13-16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,21,24)/p+1/t15-,17+/m1/s1