4-[3-nitro-4-(2-thiophen-3-ylpyrrolidin-1-yl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-(2-thiophen-3-ylpyrrolidin-1-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-[2-(3-thienyl)pyrrolidin-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[2-(3-thiophenyl)-1-pyrrolidinyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-(2-thiophen-3-ylpyrrolidin-1-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-[2-(3-thienyl)pyrrolidino]phenyl]sulfonylmorpholine Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C18H21N3O5S2/c22-21(23)18-12-15(28(24,25)19-7-9-26-10-8-19)3-4-17(18)20-6-1-2-16(20)14-5-11-27-13-14/h3-5,11-13,16H,1-2,6-10H2