6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-(4-phenylpiperazin-1-yl)sulfonylchromane-2-carboxylic acid CAS Name: 6-[(4-phenyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-(4-phenylpiperazino)sulfonylchroman-2-carboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)OC1C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)OC1C(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-20(24)19-8-6-15-14-17(7-9-18(15)27-19)28(25,26)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-5,7,9,14,19H,6,8,10-13H2,(H,23,24)