5-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 5-[(5-bromo-2-thiophenyl)sulfonylamino]-2-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-2-(4-propylpiperazino)benzoic acid Formula: C18H22BrN3O4S2 MolecularWeight: 488.41898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C18H22BrN3O4S2/c1-2-7-21-8-10-22(11-9-21)15-4-3-13(12-14(15)18(23)24)20-28(25,26)17-6-5-16(19)27-17/h3-6,12,20H,2,7-11H2,1H3,(H,23,24)