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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)/p+1