2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H29N4O4S2+ MolecularWeight: 513.65216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)N

InChI

InChI=1S/C25H28N4O4S2/c26-24(31)23-20-7-3-4-8-21(20)34-25(23)27-22(30)16-28-11-13-29(14-12-28)35(32,33)19-10-9-17-5-1-2-6-18(17)15-19/h1-2,5-6,9-10,15H,3-4,7-8,11-14,16H2,(H2,26,31)(H,27,30)/p+1