3-(azepan-1-ylsulfonyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H33N3O4S/c26-21-12-4-3-5-14-24(21)15-9-13-23-22(27)19-10-8-11-20(18-19)30(28,29)25-16-6-1-2-7-17-25/h8,10-11,18H,1-7,9,12-17H2,(H,23,27)