ethyl 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: ethyl 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: ethyl 4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 5-keto-4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-diazepane-1-carboxylic acid ethyl ester Formula: C25H41N3O5S MolecularWeight: 495.67514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CCC1=O)C(=O)OCC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCN(CCC1=O)C(=O)OCC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C25H41N3O5S/c1-5-14-26(21(3)20-22-9-11-23(12-10-22)34(4,31)32)15-7-8-16-27-18-19-28(17-13-24(27)29)25(30)33-6-2/h9-12,21H,5-8,13-20H2,1-4H3