5-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-keto-ethyl]-2-methoxy-benzamide Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC(=O)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC(=O)NC3CC3

InChI

InChI=1S/C19H27N3O5S/c1-27-17-9-8-15(28(25,26)22-10-4-2-3-5-11-22)12-16(17)19(24)20-13-18(23)21-14-6-7-14/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,20,24)(H,21,23)