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

Systemtic Name: N-[(5-cyano-2-nitro-phenyl)methyl]-N-(1-phenoxy-3-phenyl-propan-2-yl)thiophene-2-sulfonamide Openeye Name: N-(1-benzyl-2-phenoxy-ethyl)-N-[(5-cyano-2-nitro-phenyl)methyl]thiophene-2-sulfonamide CAS Name: N-[(5-cyano-2-nitrophenyl)methyl]-N-(1-phenoxy-3-phenylpropan-2-yl)-2-thiophenesulfonamide IUPAC Name: N-[(5-cyano-2-nitrophenyl)methyl]-N-(1-phenoxy-3-phenylpropan-2-yl)thiophene-2-sulfonamide Traditional Name: N-(1-benzyl-2-phenoxy-ethyl)-N-(5-cyano-2-nitro-benzyl)thiophene-2-sulfonamide Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(COC2=CC=CC=C2)N(CC3=C(C=CC(=C3)C#N)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC(COC2=CC=CC=C2)N(CC3=C(C=CC(=C3)C#N)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C27H23N3O5S2/c28-18-22-13-14-26(30(31)32)23(16-22)19-29(37(33,34)27-12-7-15-36-27)24(17-21-8-3-1-4-9-21)20-35-25-10-5-2-6-11-25/h1-16,24H,17,19-20H2