methanesulfonic acid; [4-(4-propan-2-ylpiperazin-1-yl)carbonylphenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate

Systemtic Name: methanesulfonic acid; [4-(4-propan-2-ylpiperazin-1-yl)carbonylphenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate Openeye Name: [4-(4-isopropylpiperazine-1-carbonyl)phenyl] tetralin-1-carboxylate; methanesulfonic acid CAS Name: methanesulfonic acid; 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid [4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: methanesulfonic acid; [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate Traditional Name: mesylic acid; tetralin-1-carboxylic acid [4-(4-isopropylpiperazine-1-carbonyl)phenyl] ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3CCCC4=CC=CC=C34.CS(=O)(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3CCCC4=CC=CC=C34.CS(=O)(=O)O

InChI

InChI=1S/C25H30N2O3.CH4O3S/c1-18(2)26-14-16-27(17-15-26)24(28)20-10-12-21(13-11-20)30-25(29)23-9-5-7-19-6-3-4-8-22(19)23;1-5(2,3)4/h3-4,6,8,10-13,18,23H,5,7,9,14-17H2,1-2H3;1H3,(H,2,3,4)