4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1-(2-propan-2-yloxyethanoyl)-1,4-diazepan-5-one

Systemtic Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1-(2-propan-2-yloxyethanoyl)-1,4-diazepan-5-one Openeye Name: 1-(2-isopropoxyacetyl)-4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1-(1-oxo-2-propan-2-yloxyethyl)-1,4-diazepan-5-one IUPAC Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1-(2-propan-2-yloxyacetyl)-1,4-diazepan-5-one Traditional Name: 1-(2-isopropoxyacetyl)-4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-diazepan-5-one Formula: C27H45N3O5S MolecularWeight: 523.7283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O5S/c1-6-14-28(23(4)20-24-9-11-25(12-10-24)36(5,33)34)15-7-8-16-29-18-19-30(17-13-26(29)31)27(32)21-35-22(2)3/h9-12,22-23H,6-8,13-21H2,1-5H3