4-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H30N4O4S/c23-22(28)17-6-10-20(11-7-17)31(29,30)25-14-12-24(13-15-25)16-21(27)26(19-8-9-19)18-4-2-1-3-5-18/h4,6-7,10-11,19H,1-3,5,8-9,12-16H2,(H2,23,28)/p+1