N,N-diethyl-3-nitro-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(2R)-2-(2-thienyl)pyrrolidino]benzenesulfonamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H]2C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-3-19(4-2)27(24,25)14-9-10-15(17(13-14)21(22)23)20-11-5-7-16(20)18-8-6-12-26-18/h6,8-10,12-13,16H,3-5,7,11H2,1-2H3/t16-/m1/s1