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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-benzamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-20(2,3)21-18(24)15-22(4)19(25)16-9-11-17(12-10-16)28(26,27)23-13-7-5-6-8-14-23/h9-12H,5-8,13-15H2,1-4H3,(H,21,24)