7-[4-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Systemtic Name: 7-[4-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Openeye Name: 7-[[4-(1-phenylethylcarbamoyl)-1-piperidyl]sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid CAS Name: 7-[[4-[oxo-(1-phenylethylamino)methyl]-1-piperidinyl]sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid IUPAC Name: 7-[4-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Traditional Name: 7-[4-(1-phenylethylcarbamoyl)piperidino]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=C(CCCC5)N=C4C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=C(CCCC5)N=C4C=C3)C(=O)O

InChI

InChI=1S/C28H31N3O5S/c1-18(19-7-3-2-4-8-19)29-27(32)20-13-15-31(16-14-20)37(35,36)21-11-12-25-23(17-21)26(28(33)34)22-9-5-6-10-24(22)30-25/h2-4,7-8,11-12,17-18,20H,5-6,9-10,13-16H2,1H3,(H,29,32)(H,33,34)