5-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]thiophene-2-carboxamide Formula: C17H21BrN3O3S2+ MolecularWeight: 459.40094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3O3S2/c1-2-20-9-11-21(12-10-20)26(23,24)14-5-3-13(4-6-14)19-17(22)15-7-8-16(18)25-15/h3-8H,2,9-12H2,1H3,(H,19,22)/p+1