2-[4-[3-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[3-[(4-acetamidophenyl)sulfonylamino]-1-oxopropyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H30N5O5S+ MolecularWeight: 452.5477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C20H29N5O5S/c1-15(26)22-16-4-6-18(7-5-16)31(29,30)21-9-8-20(28)25-12-10-24(11-13-25)14-19(27)23-17-2-3-17/h4-7,17,21H,2-3,8-14H2,1H3,(H,22,26)(H,23,27)/p+1