3-[(5-chloranyl-2-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazino)benzoic acid Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O5S/c1-3-23-8-10-24(11-9-23)17-6-4-14(20(25)26)12-16(17)22-30(27,28)19-13-15(21)5-7-18(19)29-2/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,25,26)