1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-2-one

Systemtic Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-2-one Openeye Name: 1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-2-one CAS Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-2-one IUPAC Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-2-one Traditional Name: 1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-4-mesyl-1,4-diazepan-2-one Formula: C22H37N3O5S2 MolecularWeight: 487.67628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCN(CC1=O)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCCN(CC1=O)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H37N3O5S2/c1-5-23(19(2)17-20-9-11-21(12-10-20)31(3,27)28)13-6-7-14-24-15-8-16-25(18-22(24)26)32(4,29)30/h9-12,19H,5-8,13-18H2,1-4H3