2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(4-morpholinosulfonylphenyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(4-morpholinosulfonylphenyl)carbamoyl]-6-nitro-benzoic acid Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N3O8S/c22-17(14-2-1-3-15(21(25)26)16(14)18(23)24)19-12-4-6-13(7-5-12)30(27,28)20-8-10-29-11-9-20/h1-7H,8-11H2,(H,19,22)(H,23,24)