4-methoxy-3-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Openeye Name: N-benzyl-4-methoxy-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-benzyl-4-methoxy-3-nitro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Traditional Name: N-benzyl-4-methoxy-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-benzenesulfonamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-16(13-18-9-6-12-29-18)22(15-17-7-4-3-5-8-17)30(26,27)19-10-11-21(28-2)20(14-19)23(24)25/h3-12,14,16H,13,15H2,1-2H3/t16-/m1/s1