N-[3-(azepan-1-yl)propyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[methyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H33N3O3S2/c1-26(32(29,30)23-14-12-22(31-2)13-15-23)21-10-8-20(9-11-21)24(28)25-16-7-19-27-17-5-3-4-6-18-27/h8-15H,3-7,16-19H2,1-2H3,(H,25,28)