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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-23-7-3-2-6-22(23)25-16-18-26(19-17-25)24(28)13-10-20-8-11-21(12-9-20)32(29,30)27-14-4-5-15-27/h2-3,6-9,11-12H,4-5,10,13-19H2,1H3