3-[4-methyl-5-[[2-methyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indol-3-yl]propyl methanesulfonate

Systemtic Name: 3-[4-methyl-5-[[2-methyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indol-3-yl]propyl methanesulfonate Openeye Name: 3-[4-methyl-5-[(2-methyl-3,4-dioxo-cyclobuten-1-yl)amino]-1H-indol-3-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-methyl-5-[(2-methyl-3,4-dioxo-1-cyclobutenyl)amino]-1H-indol-3-yl]propyl ester IUPAC Name: 3-[4-methyl-5-[(2-methyl-3,4-dioxocyclobuten-1-yl)amino]-1H-indol-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[5-[(3,4-diketo-2-methyl-cyclobuten-1-yl)amino]-4-methyl-1H-indol-3-yl]propyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=CN2)CCCOS(=O)(=O)C)NC3=C(C(=O)C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=CN2)CCCOS(=O)(=O)C)NC3=C(C(=O)C3=O)C

InChI

InChI=1S/C18H20N2O5S/c1-10-13(20-16-11(2)17(21)18(16)22)6-7-14-15(10)12(9-19-14)5-4-8-25-26(3,23)24/h6-7,9,19-20H,4-5,8H2,1-3H3