3-(1-ethylpiperidin-4-yl)-1H-indole-5-carbonitrile; (4-methylphenyl)methanesulfonic acid

Systemtic Name: 3-(1-ethylpiperidin-4-yl)-1H-indole-5-carbonitrile; (4-methylphenyl)methanesulfonic acid Openeye Name: 3-(1-ethyl-4-piperidyl)-1H-indole-5-carbonitrile; p-tolylmethanesulfonic acid CAS Name: 3-(1-ethyl-4-piperidinyl)-1H-indole-5-carbonitrile; (4-methylphenyl)methanesulfonic acid IUPAC Name: 3-(1-ethylpiperidin-4-yl)-1H-indole-5-carbonitrile; (4-methylphenyl)methanesulfonic acid Traditional Name: 3-(1-ethyl-4-piperidyl)-1H-indole-5-carbonitrile; p-tolylmethanesulfonic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)C#N.CC1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)C#N.CC1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C16H19N3.C8H10O3S/c1-2-19-7-5-13(6-8-19)15-11-18-16-4-3-12(10-17)9-14(15)16;1-7-2-4-8(5-3-7)6-12(9,10)11/h3-4,9,11,13,18H,2,5-8H2,1H3;2-5H,6H2,1H3,(H,9,10,11)