4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]benzenesulfonic acid CAS Name: 4-[2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonic acid Traditional Name: 4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]besylic acid Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H16ClNO5S/c1-23-15-7-4-12(17)10-14(15)16(19)18-9-8-11-2-5-13(6-3-11)24(20,21)22/h2-7,10H,8-9H2,1H3,(H,18,19)(H,20,21,22)