methyl 3-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-5-morpholinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methyl-5-(4-morpholinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-5-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)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

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