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

Systemtic Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-5-oxo-1,4-diazepane-1-carbaldehyde CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carbaldehyde Traditional Name: 5-keto-4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-diazepane-1-carbaldehyde Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O4S/c1-4-12-25(20(2)18-21-7-9-22(10-8-21)31(3,29)30)13-5-6-14-26-17-16-24(19-27)15-11-23(26)28/h7-10,19-20H,4-6,11-18H2,1-3H3