N-(3-ethynylphenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-ethynylphenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-ethynylphenyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-ethynylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-ethynylphenyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H21N3O3S/c1-3-16-6-4-8-18(14-16)21-20(24)17-7-5-9-19(15-17)27(25,26)23-12-10-22(2)11-13-23/h1,4-9,14-15H,10-13H2,2H3,(H,21,24)