N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(phenylthio)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(phenylthio)butyramide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S2/c1-29-22-14-13-20(31(27,28)25-15-7-2-3-8-16-25)18-21(22)24-23(26)12-9-17-30-19-10-5-4-6-11-19/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3,(H,24,26)