3,4,6-tris(chloranyl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]phenolate

Systemtic Name: 3,4,6-tris(chloranyl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]phenolate Openeye Name: 3,4,6-trichloro-2-[(4-morpholinosulfonylphenyl)methylcarbamoyl]phenolate CAS Name: 3,4,6-trichloro-2-[[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-oxomethyl]phenolate IUPAC Name: 3,4,6-trichloro-2-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]phenolate Traditional Name: 3,4,6-trichloro-2-[(4-morpholinosulfonylbenzyl)carbamoyl]phenolate Formula: C18H16Cl3N2O5S- MolecularWeight: 478.75404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C(=CC(=C3Cl)Cl)Cl)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C(=CC(=C3Cl)Cl)Cl)[O-]

InChI

InChI=1S/C18H17Cl3N2O5S/c19-13-9-14(20)17(24)15(16(13)21)18(25)22-10-11-1-3-12(4-2-11)29(26,27)23-5-7-28-8-6-23/h1-4,9,24H,5-8,10H2,(H,22,25)/p-1