N-(4-bromanyl-2-methyl-phenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Formula: C15H18BrN2O3S2+ MolecularWeight: 418.34902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC(=O)C2C=CC=CS[N+]2(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC(=O)C2C=CC=CS[N+]2(C)C

InChI

InChI=1S/C15H17BrN2O3S2/c1-11-10-12(16)7-8-14(11)23(20,21)17-15(19)13-6-4-5-9-22-18(13,2)3/h4-10,13H,1-3H3/p+1