2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C21H26N4O4S2/c1-24-9-11-25(12-10-24)31(28,29)15-6-4-5-14(13-15)20(27)23-21-18(19(22)26)16-7-2-3-8-17(16)30-21/h4-6,13H,2-3,7-12H2,1H3,(H2,22,26)(H,23,27)/p+1