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

Systemtic Name: tert-butyl 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C27H45N3O5S MolecularWeight: 523.7283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O5S/c1-7-15-28(22(2)21-23-10-12-24(13-11-23)36(6,33)34)16-8-9-17-29-19-20-30(18-14-25(29)31)26(32)35-27(3,4)5/h10-13,22H,7-9,14-21H2,1-6H3