[1-(furan-3-ylcarbonyl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(furan-3-ylcarbonyl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [1-(furan-3-carbonyl)-3-piperidyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-[3-furanyl(oxo)methyl]-3-piperidinyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(furan-3-carbonyl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [1-(3-furoyl)-3-piperidyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCCN(C3)C(=O)C4=COC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCCN(C3)C(=O)C4=COC=C4

InChI

InChI=1S/C23H29N3O5S/c1-18-5-7-21(8-6-18)32(29,30)26-12-3-11-24(13-14-26)22(27)19-4-2-10-25(16-19)23(28)20-9-15-31-17-20/h5-9,15,17,19H,2-4,10-14,16H2,1H3