N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(4-ethylpiperazino)sulfonylphenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H25N5O4S/c1-3-26-11-13-27(14-12-26)32(30,31)17-8-6-7-16(15-17)23-21(28)20-18-9-4-5-10-19(18)22(29)25(2)24-20/h4-10,15H,3,11-14H2,1-2H3,(H,23,28)