N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]cyclohexanecarboxamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-30-20-12-11-18(31(28,29)25-13-7-2-3-8-14-25)15-19(20)24-21(26)16-23-22(27)17-9-5-4-6-10-17/h11-12,15,17H,2-10,13-14,16H2,1H3,(H,23,27)(H,24,26)