N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiophene-3-carboxamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiophene-3-carboxamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiophene-3-carboxamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-thiophenecarboxamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-3-carboxamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiophene-3-carboxamide Formula: C17H22N3O4S2+ MolecularWeight: 396.50428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CSC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CSC=C3

InChI

InChI=1S/C17H21N3O4S2/c1-19-6-8-20(9-7-19)26(22,23)14-3-4-16(24-2)15(11-14)18-17(21)13-5-10-25-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,18,21)/p+1