(2S,3R,4S,5S)-4-nitro-N,1-bis(phenylmethyl)-2,5-dithiophen-2-yl-pyrrolidin-3-amine

Systemtic Name: (2S,3R,4S,5S)-4-nitro-N,1-bis(phenylmethyl)-2,5-dithiophen-2-yl-pyrrolidin-3-amine Openeye Name: (2S,3R,4S,5S)-N,1-dibenzyl-4-nitro-2,5-bis(2-thienyl)pyrrolidin-3-amine CAS Name: (2S,3R,4S,5S)-4-nitro-N,1-bis(phenylmethyl)-2,5-dithiophen-2-yl-3-pyrrolidinamine IUPAC Name: (2S,3R,4S,5S)-N,1-dibenzyl-4-nitro-2,5-dithiophen-2-ylpyrrolidin-3-amine Traditional Name: benzyl-[(2S,3R,4S,5S)-1-benzyl-4-nitro-2,5-bis(2-thienyl)pyrrolidin-3-yl]amine Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2C(C(N(C2C3=CC=CS3)CC4=CC=CC=C4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN[C@H]2[C@@H]([C@H](N([C@@H]2C3=CC=CS3)CC4=CC=CC=C4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O2S2/c30-29(31)26-23(27-17-19-9-3-1-4-10-19)24(21-13-7-15-32-21)28(18-20-11-5-2-6-12-20)25(26)22-14-8-16-33-22/h1-16,23-27H,17-18H2/t23-,24-,25-,26+/m1/s1