ethyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H33N3O8S MolecularWeight: 511.58842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O8S/c1-3-33-23(29)25-14-12-24(13-15-25)21(27)17-34-22(28)18-8-9-19(32-2)20(16-18)35(30,31)26-10-6-4-5-7-11-26/h8-9,16H,3-7,10-15,17H2,1-2H3