N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

InChI

InChI=1S/C24H29N3O4S2/c28-23(25-18-9-10-18)17-32-22-8-4-3-7-21(22)24(29)26-19-11-13-20(14-12-19)33(30,31)27-15-5-1-2-6-16-27/h3-4,7-8,11-14,18H,1-2,5-6,9-10,15-17H2,(H,25,28)(H,26,29)