3-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-3-(p-tolyl)propan-1-one Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H30N4O4S/c1-19-2-4-20(5-3-19)6-9-23(28)26-12-10-25(11-13-26)22-8-7-21(18-24-22)32(29,30)27-14-16-31-17-15-27/h2-5,7-8,18H,6,9-17H2,1H3