3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H23N3O3S2/c1-2-10-24-31(28,29)20-7-5-6-18(15-20)23(27)26-13-11-25(12-14-26)16-19-17-30-22-9-4-3-8-21(19)22/h1,3-9,15,17,24H,10-14,16H2