1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-pyridin-3-ylcarbonyl-1,4-diazepan-2-one

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-pyridin-3-ylcarbonyl-1,4-diazepan-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-4-(pyridine-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-2-one IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-(pyridine-3-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-4-nicotinoyl-1,4-diazepan-2-one Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C28H40N4O4S/c1-4-26(22(2)19-23-10-12-25(13-11-23)37(3,35)36)30-15-5-6-16-31-17-8-18-32(21-27(31)33)28(34)24-9-7-14-29-20-24/h7,9-14,20,22,26,30H,4-6,8,15-19,21H2,1-3H3