1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[2-(3-methoxyphenyl)-1-pyrrolidinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[2-(3-methoxyphenyl)pyrrolidino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H32N2O4S/c1-31-22-8-5-7-21(19-22)24-9-6-18-27(24)25(28)15-12-20-10-13-23(14-11-20)32(29,30)26-16-3-2-4-17-26/h5,7-8,10-11,13-14,19,24H,2-4,6,9,12,15-18H2,1H3