(2,4-dimethylphenyl)-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperidin-4-yl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperidin-4-yl]methanone Openeye Name: (2,4-dimethylphenyl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-4-piperidyl]methanone CAS Name: (2,4-dimethylphenyl)-[1-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-4-piperidinyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperidin-4-yl]methanone Traditional Name: (2,4-dimethylphenyl)-[1-(5-pyrrolidinosulfonyl-2-pyridyl)-4-piperidyl]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H29N3O3S/c1-17-5-7-21(18(2)15-17)23(27)19-9-13-25(14-10-19)22-8-6-20(16-24-22)30(28,29)26-11-3-4-12-26/h5-8,15-16,19H,3-4,9-14H2,1-2H3