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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-keto-ethyl]-4-methoxy-benzamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O5S/c1-20(2,3)22-18(24)14-21-19(25)15-9-10-16(28-4)17(13-15)29(26,27)23-11-7-5-6-8-12-23/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,21,25)(H,22,24)