N-[2-(azepan-1-yl)ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[methyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H31N3O3S2/c1-25(31(28,29)22-13-11-21(30-2)12-14-22)20-9-7-19(8-10-20)23(27)24-15-18-26-16-5-3-4-6-17-26/h7-14H,3-6,15-18H2,1-2H3,(H,24,27)