ethyl 4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H27N3O8S MolecularWeight: 541.57288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O8S/c1-5-37-26(31)19-7-13-23(18(3)14-19)27-25(30)16-28(20-8-10-21(36-4)11-9-20)38(34,35)22-12-6-17(2)24(15-22)29(32)33/h6-15H,5,16H2,1-4H3,(H,27,30)