4-(4-ethynylphenyl)sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one

Systemtic Name: 4-(4-ethynylphenyl)sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one Openeye Name: 4-(4-ethynylphenyl)sulfonyl-1-(4-piperidylmethyl)piperazin-2-one CAS Name: 4-(4-ethynylphenyl)sulfonyl-1-(4-piperidinylmethyl)-2-piperazinone IUPAC Name: 4-(4-ethynylphenyl)sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one Traditional Name: 4-(4-ethynylphenyl)sulfonyl-1-(4-piperidylmethyl)piperazin-2-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCNCC3

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCNCC3

InChI

InChI=1S/C18H23N3O3S/c1-2-15-3-5-17(6-4-15)25(23,24)21-12-11-20(18(22)14-21)13-16-7-9-19-10-8-16/h1,3-6,16,19H,7-14H2