1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 4-(2-thienyl)-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H26N2O3S2/c1-17-8-10-19(11-9-17)27(24,25)22-13-4-12-21(14-15-22)20(23)7-2-5-18-6-3-16-26-18/h3,6,8-11,16H,2,4-5,7,12-15H2,1H3