N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-morpholinosulfonylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-morpholinosulfonylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O6S3+ MolecularWeight: 515.64658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H26N4O6S3/c25-19(16-22-7-9-23(10-8-22)33(28,29)20-2-1-15-31-20)21-17-3-5-18(6-4-17)32(26,27)24-11-13-30-14-12-24/h1-6,15H,7-14,16H2,(H,21,25)/p+1