N-[2-[(4-cyanophenyl)amino]-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethyl]propane-1-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)amino]-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethyl]propane-1-sulfonamide Openeye Name: N-[2-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-(4-cyanoanilino)ethyl]propane-1-sulfonamide CAS Name: N-[2-(4-cyanoanilino)-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethyl]-1-propanesulfonamide IUPAC Name: N-[2-(4-cyanoanilino)-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethyl]propane-1-sulfonamide Traditional Name: N-[2-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-(4-cyanoanilino)ethyl]propane-1-sulfonamide Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC(C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCS(=O)(=O)NCC(C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H28N4O6S/c1-3-13-37(33,34)28-17-23(29-21-11-9-19(16-27)10-12-21)22-14-25(35-2)26(15-24(22)30(31)32)36-18-20-7-5-4-6-8-20/h4-12,14-15,23,28-29H,3,13,17-18H2,1-2H3