N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-(3-methylsulfanylpropylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-(3-methylsulfanylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(3-methylsulfanylpropylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-5-[3-(methylthio)propylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(3-methylsulfanylpropylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-[3-(methylthio)propylamino]benzenesulfonamide Formula: C21H36N4O3S2 MolecularWeight: 456.66554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCCSC)C(=O)N2CCCN(CC2)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCCSC)C(=O)N2CCCN(CC2)C

InChI

InChI=1S/C21H36N4O3S2/c1-21(2,3)23-30(27,28)19-15-17(14-18(16-19)22-8-6-13-29-5)20(26)25-10-7-9-24(4)11-12-25/h14-16,22-23H,6-13H2,1-5H3