2-[1-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[[1-(m-tolylsulfonyl)pyrrolidin-2-yl]methyl]-4-piperidyl]-1,3-benzoxazole CAS Name: 2-[1-[[1-(3-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl]-4-piperidinyl]-1,3-benzoxazole IUPAC Name: 2-[1-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[[1-(m-tolylsulfonyl)pyrrolidin-2-yl]methyl]-4-piperidyl]-1,3-benzoxazole Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H29N3O3S/c1-18-6-4-8-21(16-18)31(28,29)27-13-5-7-20(27)17-26-14-11-19(12-15-26)24-25-22-9-2-3-10-23(22)30-24/h2-4,6,8-10,16,19-20H,5,7,11-15,17H2,1H3