1-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-phenoxy-pentanoyl)amino]-3-(sulfinoamino)benzene; dodecane; dodecane-4-sulfonamide

Systemtic Name: 1-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-phenoxy-pentanoyl)amino]-3-(sulfinoamino)benzene; dodecane; dodecane-4-sulfonamide Openeye Name: 1-[(2-chloro-4,4-dimethyl-3-oxo-2-phenoxy-pentanoyl)amino]-3-(sulfinoamino)benzene; dodecane; dodecane-4-sulfonamide CAS Name: 1-[(2-chloro-4,4-dimethyl-1,3-dioxo-2-phenoxypentyl)amino]-3-(sulfinoamino)benzene; dodecane; 4-dodecanesulfonamide IUPAC Name: 1-[(2-chloro-4,4-dimethyl-3-oxo-2-phenoxypentanoyl)amino]-3-(sulfinoamino)benzene; dodecane; dodecane-4-sulfonamide Traditional Name: 1-[(2-chloro-3-keto-4,4-dimethyl-2-phenoxy-pentanoyl)amino]-3-(sulfinoamino)benzene; dodecane; dodecane-4-sulfonamide Formula: C43H74ClN3O7S2 MolecularWeight: 844.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC.CCCCCCCCC(CCC)S(=O)(=O)N.CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC=C1)NS(=O)O)(OC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCC.CCCCCCCCC(CCC)S(=O)(=O)N.CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC=C1)NS(=O)O)(OC2=CC=CC=C2)Cl

InChI

InChI=1S/C19H21ClN2O5S.C12H27NO2S.C12H26/c1-18(2,3)16(23)19(20,27-15-10-5-4-6-11-15)17(24)21-13-8-7-9-14(12-13)22-28(25)26;1-3-5-6-7-8-9-11-12(10-4-2)16(13,14)15;1-3-5-7-9-11-12-10-8-6-4-2/h4-12,22H,1-3H3,(H,21,24)(H,25,26);12H,3-11H2,1-2H3,(H2,13,14,15);3-12H2,1-2H3