3-[(4-methoxyphenyl)-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]amino]propanamide

Systemtic Name: 3-[(4-methoxyphenyl)-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]amino]propanamide Openeye Name: 3-(4-methoxy-N-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(4-methoxy-N-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]anilino)propanamide IUPAC Name: 3-(4-methoxy-N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]anilino)propanamide Traditional Name: 3-(4-methoxy-N-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C20H27N4O5S2+ MolecularWeight: 467.58218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O5S2/c1-29-17-6-4-16(5-7-17)24(9-8-18(21)25)19(26)15-22-10-12-23(13-11-22)31(27,28)20-3-2-14-30-20/h2-7,14H,8-13,15H2,1H3,(H2,21,25)/p+1