2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(4-pyridylmethyl)acetamide CAS Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(4-pyridylmethyl)acetamide Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-16-3-8-20(13-21(16)26(28)29)33(30,31)25(18-4-6-19(32-2)7-5-18)15-22(27)24-14-17-9-11-23-12-10-17/h3-13H,14-15H2,1-2H3,(H,24,27)