ethyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H34N4O6S MolecularWeight: 482.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H34N4O6S/c1-3-32-22(28)25-14-12-24(13-15-25)17-21(27)23-19-16-18(8-9-20(19)31-2)33(29,30)26-10-6-4-5-7-11-26/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,27)