4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-chromen-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-chromen-2-one; 4-methylbenzenesulfonic acid Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-methoxy-chromen-2-one; 4-methylbenzenesulfonic acid CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-methoxy-1-benzopyran-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxychromen-2-one; 4-methylbenzenesulfonic acid Traditional Name: 6-methoxy-4-[(1-piperonyl-4-piperidyl)amino]coumarin; tosylic acid Formula: C30H32N2O8S MolecularWeight: 580.64868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N2O5.C7H8O3S/c1-27-17-3-5-20-18(11-17)19(12-23(26)30-20)24-16-6-8-25(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10-12,16,24H,6-9,13-14H2,1H3;2-5H,1H3,(H,8,9,10)