N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C24H30N5O4S+ MolecularWeight: 484.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29N5O4S/c1-2-27-14-16-29(17-15-27)34(32,33)20-11-9-19(10-12-20)26-23(30)8-5-13-28-18-25-22-7-4-3-6-21(22)24(28)31/h3-4,6-7,9-12,18H,2,5,8,13-17H2,1H3,(H,26,30)/p+1