4-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

Systemtic Name: 4-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Openeye Name: N-benzyl-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: 4-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-benzyl-4-nitro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Traditional Name: N-benzyl-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-4-nitro-benzenesulfonamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC1=CC=CS1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4S2/c1-16(14-19-8-5-13-27-19)21(15-17-6-3-2-4-7-17)28(25,26)20-11-9-18(10-12-20)22(23)24/h2-13,16H,14-15H2,1H3/t16-/m1/s1