lithium 3-methanidylidene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane

Systemtic Name: lithium 3-methanidylidene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane Openeye Name: lithium 1-benzyl-3-methanidylidene-4-(p-tolylsulfonyl)azepane CAS Name: lithium 3-methanidylidene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane IUPAC Name: lithium 1-benzyl-3-methanidylidene-4-(4-methylphenyl)sulfonylazepane Traditional Name: lithium 1-benzyl-3-methanidylidene-4-tosyl-azepane Formula: C21H24LiNO2S MolecularWeight: 361.42676

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(CC2=[CH-])CC3=CC=CC=C3

Isomeric SMILES

[Li+].CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(CC2=[CH-])CC3=CC=CC=C3

InChI

InChI=1S/C21H24NO2S.Li/c1-17-10-12-20(13-11-17)25(23,24)21-9-6-14-22(15-18(21)2)16-19-7-4-3-5-8-19;/h2-5,7-8,10-13,21H,6,9,14-16H2,1H3;/q-1;+1