N-[(5-cyano-2-nitro-phenyl)methyl]-N-(1-oxidanyl-3-phenyl-propan-2-yl)thiophene-2-sulfonamide

Systemtic Name: N-[(5-cyano-2-nitro-phenyl)methyl]-N-(1-oxidanyl-3-phenyl-propan-2-yl)thiophene-2-sulfonamide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-N-[(5-cyano-2-nitro-phenyl)methyl]thiophene-2-sulfonamide CAS Name: N-[(5-cyano-2-nitrophenyl)methyl]-N-(1-hydroxy-3-phenylpropan-2-yl)-2-thiophenesulfonamide IUPAC Name: N-[(5-cyano-2-nitrophenyl)methyl]-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-sulfonamide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-N-(5-cyano-2-nitro-benzyl)thiophene-2-sulfonamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)N(CC2=C(C=CC(=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)N(CC2=C(C=CC(=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O5S2/c22-13-17-8-9-20(24(26)27)18(11-17)14-23(31(28,29)21-7-4-10-30-21)19(15-25)12-16-5-2-1-3-6-16/h1-11,19,25H,12,14-15H2