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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-chloro-4-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=CC(=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

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