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

Systemtic Name: (2S,3R,4S,5S)-N,1-dibutyl-4-nitro-2,5-dithiophen-2-yl-pyrrolidin-3-amine Openeye Name: (2S,3R,4S,5S)-N,1-dibutyl-4-nitro-2,5-bis(2-thienyl)pyrrolidin-3-amine CAS Name: (2S,3R,4S,5S)-N,1-dibutyl-4-nitro-2,5-dithiophen-2-yl-3-pyrrolidinamine IUPAC Name: (2S,3R,4S,5S)-N,1-dibutyl-4-nitro-2,5-dithiophen-2-ylpyrrolidin-3-amine Traditional Name: butyl-[(2S,3R,4S,5S)-1-butyl-4-nitro-2,5-bis(2-thienyl)pyrrolidin-3-yl]amine Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(N(C1C2=CC=CS2)CCCC)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCCCN[C@H]1[C@@H]([C@H](N([C@@H]1C2=CC=CS2)CCCC)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O2S2/c1-3-5-11-21-17-18(15-9-7-13-26-15)22(12-6-4-2)19(20(17)23(24)25)16-10-8-14-27-16/h7-10,13-14,17-21H,3-6,11-12H2,1-2H3/t17-,18-,19-,20+/m1/s1