2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H30N4O4S/c26-20(16-23-12-14-24(15-13-23)21(27)17-4-5-17)22-18-6-8-19(9-7-18)30(28,29)25-10-2-1-3-11-25/h6-9,17H,1-5,10-16H2,(H,22,26)/p+1