N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[(methylthio)methyl]benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-27-16-17-9-11-18(12-10-17)21(24)22-19-7-6-8-20(15-19)28(25,26)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3,(H,22,24)