4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C23H25N3O4S/c1-3-13-24-31(29,30)21-11-9-20(10-12-21)23(28)26-16-14-25(15-17-26)22(27)19-7-5-18(4-2)6-8-19/h1,5-12,24H,4,13-17H2,2H3