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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]propan-1-one Formula: C23H29ClN4O4S MolecularWeight: 493.01876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN4O4S/c1-18-2-3-19(16-21(18)24)4-7-23(29)27-10-8-26(9-11-27)22-6-5-20(17-25-22)33(30,31)28-12-14-32-15-13-28/h2-3,5-6,16-17H,4,7-15H2,1H3