[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(1,3-benzodioxol-5-yl)-4-quinolyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-besylpiperazino)methanone Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H23N3O5S/c31-27(29-12-14-30(15-13-29)36(32,33)20-6-2-1-3-7-20)22-17-24(28-23-9-5-4-8-21(22)23)19-10-11-25-26(16-19)35-18-34-25/h1-11,16-17H,12-15,18H2