methanesulfonic acid; (4-methoxyphenyl)-[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methanone

Systemtic Name: methanesulfonic acid; (4-methoxyphenyl)-[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methanone Openeye Name: methanesulfonic acid; (4-methoxyphenyl)-[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methanone CAS Name: methanesulfonic acid; (4-methoxyphenyl)-[2-methyl-1-[2-(1-piperazinyl)ethyl]-3-indolyl]methanone IUPAC Name: methanesulfonic acid; (4-methoxyphenyl)-[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methanone Traditional Name: mesylic acid; (4-methoxyphenyl)-[2-methyl-1-(2-piperazinoethyl)indol-3-yl]methanone Formula: C25H35N3O8S2 MolecularWeight: 569.6907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCN3CCNCC3)C(=O)C4=CC=C(C=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCN3CCNCC3)C(=O)C4=CC=C(C=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C23H27N3O2.2CH4O3S/c1-17-22(23(27)18-7-9-19(28-2)10-8-18)20-5-3-4-6-21(20)26(17)16-15-25-13-11-24-12-14-25;2*1-5(2,3)4/h3-10,24H,11-16H2,1-2H3;2*1H3,(H,2,3,4)