5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-(4-methylpiperazino)benzoic acid Formula: C16H18ClN3O4S2 MolecularWeight: 415.91482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C16H18ClN3O4S2/c1-19-6-8-20(9-7-19)13-3-2-11(10-12(13)16(21)22)18-26(23,24)15-5-4-14(17)25-15/h2-5,10,18H,6-9H2,1H3,(H,21,22)