(4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-[(4-carbamoylphenyl)methyl]-cyclopropyl-ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-[(4-carbamoylphenyl)methyl]-cyclopropylammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(4-carbamoylphenyl)methyl]-cyclopropylazanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-(4-carbamoylbenzyl)-cyclopropyl-ammonium Formula: C25H31N4O5S+ MolecularWeight: 499.60244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=C(C=C3)C(=O)N)C4CC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=C(C=C3)C(=O)N)C4CC4

InChI

InChI=1S/C25H30N4O5S/c1-18(30)20-6-10-23(11-7-20)35(33,34)29-14-12-27(13-15-29)24(31)17-28(22-8-9-22)16-19-2-4-21(5-3-19)25(26)32/h2-7,10-11,22H,8-9,12-17H2,1H3,(H2,26,32)/p+1