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

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-thiophen-2-ylsulfonyl-1,4-diazepan-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-4-(2-thienylsulfonyl)-1,4-diazepan-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-thiophen-2-ylsulfonyl-1,4-diazepan-2-one IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-thiophen-2-ylsulfonyl-1,4-diazepan-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-4-(2-thienylsulfonyl)-1,4-diazepan-2-one Formula: C26H39N3O5S3 MolecularWeight: 569.79996

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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)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O5S3/c1-4-24(21(2)19-22-10-12-23(13-11-22)36(3,31)32)27-14-5-6-15-28-16-8-17-29(20-25(28)30)37(33,34)26-9-7-18-35-26/h7,9-13,18,21,24,27H,4-6,8,14-17,19-20H2,1-3H3