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

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC(=O)C3CCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC(=O)C3CCC3

InChI

InChI=1S/C20H28N2O6S/c1-27-18-10-9-16(29(25,26)22-11-4-2-3-5-12-22)13-17(18)21-19(23)14-28-20(24)15-7-6-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)