4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1-pyridin-3-ylcarbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1-pyridin-3-ylcarbonyl-1,4-diazepan-5-one Openeye Name: 4-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1-(pyridine-3-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1-[oxo(3-pyridinyl)methyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1-(pyridine-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1-nicotinoyl-1,4-diazepan-5-one Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CCC1=O)C(=O)C2=CN=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCN(CCC1=O)C(=O)C2=CN=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C27H38N4O4S/c1-4-29(22(2)20-23-9-11-25(12-10-23)36(3,34)35)15-5-6-16-30-18-19-31(17-13-26(30)32)27(33)24-8-7-14-28-21-24/h7-12,14,21-22H,4-6,13,15-20H2,1-3H3