4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenyl-thiophene-2-carboxamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenyl-thiophene-2-carboxamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenyl-thiophene-2-carboxamide CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-phenyl-2-thiophenecarboxamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenylthiophene-2-carboxamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenyl-thiophene-2-carboxamide Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S2/c1-2-19-8-10-20(11-9-19)25(22,23)15-12-16(24-13-15)17(21)18-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,18,21)/p+1