N-cyano-N'-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-azepane-1-carboximidamide

Systemtic Name: N-cyano-N'-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-azepane-1-carboximidamide Openeye Name: N-cyano-N'-[[4-(3-methylanilino)-3-pyridyl]sulfonyl]azepane-1-carboxamidine CAS Name: N-cyano-N'-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-1-azepanecarboximidamide IUPAC Name: N-cyano-N'-[4-(3-methylanilino)pyridin-3-yl]sulfonylazepane-1-carboximidamide Traditional Name: N-cyano-N'-[[4-(m-toluidino)-3-pyridyl]sulfonyl]azepane-1-carboxamidine Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N=C(NC#N)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)/N=C(\NC#N)/N3CCCCCC3

InChI

InChI=1S/C20H24N6O2S/c1-16-7-6-8-17(13-16)24-18-9-10-22-14-19(18)29(27,28)25-20(23-15-21)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)(H,23,25)