1-[[2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-(sulfinoamino)pentanoyl]amino]-3-methyl-benzene

Systemtic Name: 1-[[2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-(sulfinoamino)pentanoyl]amino]-3-methyl-benzene Openeye Name: 1-[[2-chloro-4,4-dimethyl-3-oxo-2-(sulfinoamino)pentanoyl]amino]-3-methyl-benzene CAS Name: 1-[[2-chloro-4,4-dimethyl-1,3-dioxo-2-(sulfinoamino)pentyl]amino]-3-methylbenzene IUPAC Name: 1-[[2-chloro-4,4-dimethyl-3-oxo-2-(sulfinoamino)pentanoyl]amino]-3-methylbenzene Traditional Name: 1-[[2-chloro-3-keto-4,4-dimethyl-2-(sulfinoamino)pentanoyl]amino]-3-methyl-benzene Formula: C14H19ClN2O4S MolecularWeight: 346.82966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C(=O)C(C)(C)C)(NS(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C(=O)C(C)(C)C)(NS(=O)O)Cl

InChI

InChI=1S/C14H19ClN2O4S/c1-9-6-5-7-10(8-9)16-12(19)14(15,17-22(20)21)11(18)13(2,3)4/h5-8,17H,1-4H3,(H,16,19)(H,20,21)