3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-methoxyphenyl)pyrrolidino]propan-1-one Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H34N2O4S/c1-32-23-13-11-22(12-14-23)25-7-6-20-28(25)26(29)17-10-21-8-15-24(16-9-21)33(30,31)27-18-4-2-3-5-19-27/h8-9,11-16,25H,2-7,10,17-20H2,1H3