N-butan-2-yl-4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[oxo-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide Traditional Name: 4-[[[2-(2-ketoazepan-1-yl)acetyl]amino]carbamoyl]-N-sec-butyl-benzenesulfonamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C19H28N4O5S/c1-3-14(2)22-29(27,28)16-10-8-15(9-11-16)19(26)21-20-17(24)13-23-12-6-4-5-7-18(23)25/h8-11,14,22H,3-7,12-13H2,1-2H3,(H,20,24)(H,21,26)