3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-chloranyl-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-chloranyl-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-4-chloro-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-keto-ethyl]-4-chloro-N-methyl-benzamide Formula: C20H30ClN3O4S MolecularWeight: 443.9879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H30ClN3O4S/c1-20(2,3)22-18(25)14-23(4)19(26)15-9-10-16(21)17(13-15)29(27,28)24-11-7-5-6-8-12-24/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,22,25)