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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxo-ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-keto-ethyl]-4-methoxy-benzamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-3-19-17(22)13-20-18(23)14-8-9-15(26-2)16(12-14)27(24,25)21-10-6-4-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,22)(H,20,23)