N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylmethylsulfanyl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfanyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylmethylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfanylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzylthio)benzamide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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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=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S2/c29-26(24-12-6-7-13-25(24)32-20-21-10-4-3-5-11-21)27-22-14-16-23(17-15-22)33(30,31)28-18-8-1-2-9-19-28/h3-7,10-17H,1-2,8-9,18-20H2,(H,27,29)