methanesulfonic acid; (3Z)-1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one

Systemtic Name: methanesulfonic acid; (3Z)-1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one Openeye Name: methanesulfonic acid; (3Z)-1-(1-piperidylmethyl)-3-(1H-pyrrol-2-ylmethylene)indolin-2-one CAS Name: methanesulfonic acid; (3Z)-1-(1-piperidinylmethyl)-3-(1H-pyrrol-2-ylmethylidene)-2-indolone IUPAC Name: methanesulfonic acid; (3Z)-1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one Traditional Name: mesylic acid; (3Z)-1-(piperidinomethyl)-3-(1H-pyrrol-2-ylmethylene)oxindole Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CCN(CC1)CN2C3=CC=CC=C3C(=CC4=CC=CN4)C2=O

Isomeric SMILES

CS(=O)(=O)O.C1CCN(CC1)CN2C3=CC=CC=C3/C(=C/C4=CC=CN4)/C2=O

InChI

InChI=1S/C19H21N3O.CH4O3S/c23-19-17(13-15-7-6-10-20-15)16-8-2-3-9-18(16)22(19)14-21-11-4-1-5-12-21;1-5(2,3)4/h2-3,6-10,13,20H,1,4-5,11-12,14H2;1H3,(H,2,3,4)/b17-13-;