methyl 3-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-methyl-3-(4-morpholinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O8S/c1-13-3-4-16(12-18(13)32(28,29)22-5-7-31-8-6-22)21-19(24)14-9-15(20(25)30-2)11-17(10-14)23(26)27/h3-4,9-12H,5-8H2,1-2H3,(H,21,24)