N-(2-methylpropylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(isobutylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C20H32N4O4S/c1-4-5-17-6-8-18(9-7-17)29(27,28)24-12-10-23(11-13-24)15-19(25)22-20(26)21-14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H2,21,22,25,26)/p+1