N-(cyclopentylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopentylcarbamoyl)acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopentylcarbamoyl)acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N4O4S/c24-18(21-19(25)20-17-8-4-5-9-17)14-22-10-12-23(13-11-22)28(26,27)15-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H2,20,21,24,25)/p+1