N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H24N4O5S/c1-23-12-14-24(15-13-23)31(28,29)17-8-6-16(7-9-17)22-20(26)10-11-25-18-4-2-3-5-19(18)30-21(25)27/h2-9H,10-15H2,1H3,(H,22,26)/p+1