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

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-thiophen-2-ylcarbonyl-1,4-diazepan-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-4-(thiophene-2-carbonyl)-1,4-diazepan-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-2-one IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-(thiophene-2-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-4-(2-thenoyl)-1,4-diazepan-2-one Formula: C27H39N3O4S2 MolecularWeight: 533.74626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C27H39N3O4S2/c1-4-24(21(2)19-22-10-12-23(13-11-22)36(3,33)34)28-14-5-6-15-29-16-8-17-30(20-26(29)31)27(32)25-9-7-18-35-25/h7,9-13,18,21,24,28H,4-6,8,14-17,19-20H2,1-3H3