N-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C

InChI

InChI=1S/C25H31N5O4S/c1-3-28-13-15-30(16-14-28)35(33,34)21-9-5-8-20(17-21)27-23(31)11-6-12-29-18-26-24-19(2)7-4-10-22(24)25(29)32/h4-5,7-10,17-18H,3,6,11-16H2,1-2H3,(H,27,31)/p+1