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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-(4-propylpiperazino)benzoic acid Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3O5S/c1-3-8-24-9-11-25(12-10-24)19-6-4-15(21(26)27)13-18(19)23-31(28,29)16-5-7-20(30-2)17(22)14-16/h4-7,13-14,23H,3,8-12H2,1-2H3,(H,26,27)