N-cyclopropyl-2-[4-[4-(phenylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(phenylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-(benzenesulfonamido)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c27-21(23-18-10-11-18)16-25-12-14-26(15-13-25)22(28)17-6-8-19(9-7-17)24-31(29,30)20-4-2-1-3-5-20/h1-9,18,24H,10-16H2,(H,23,27)/p+1