N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S2/c1-32-19-15-24(27-33(30,31)20-16-21-9-5-4-6-10-21)25(29)26-22-11-13-23(14-12-22)28-17-7-2-3-8-18-28/h4-6,9-14,16,20,24,27H,2-3,7-8,15,17-19H2,1H3,(H,26,29)/b20-16+