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

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-pentanoyl-1,4-diazepan-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-4-pentanoyl-1,4-diazepan-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-(1-oxopentyl)-1,4-diazepan-2-one IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-pentanoyl-1,4-diazepan-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-4-valeryl-1,4-diazepan-2-one Formula: C27H45N3O4S MolecularWeight: 507.7289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(C(=O)C1)CCCCNC(CC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)N1CCCN(C(=O)C1)CCCCNC(CC)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C27H45N3O4S/c1-5-7-11-26(31)30-19-10-18-29(27(32)21-30)17-9-8-16-28-25(6-2)22(3)20-23-12-14-24(15-13-23)35(4,33)34/h12-15,22,25,28H,5-11,16-21H2,1-4H3