4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-prop-2-ynyl-butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-prop-2-ynyl-butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-prop-2-ynyl-butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxo-N-prop-2-ynylbutanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-prop-2-ynylbutanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-N-propargyl-butyramide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC#C

InChI

InChI=1S/C19H25N3O4S/c1-4-9-20-18(23)7-8-19(24)21-10-12-22(13-11-21)27(25,26)17-14-15(2)5-6-16(17)3/h1,5-6,14H,7-13H2,2-3H3,(H,20,23)