1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]azepan-2-one

Systemtic Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]azepan-2-one Openeye Name: 1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-2-azepanone IUPAC Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]azepan-2-one Traditional Name: 1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]azepan-2-one Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H36N2O3S/c1-4-23(15-8-9-17-24-16-7-5-6-10-22(24)25)19(2)18-20-11-13-21(14-12-20)28(3,26)27/h11-14,19H,4-10,15-18H2,1-3H3