[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c1-19-5-7-21(34(30,31)28-9-3-2-4-10-28)16-22(19)25(29)27-13-11-26(12-14-27)17-20-6-8-23-24(15-20)33-18-32-23/h5-8,15-16H,2-4,9-14,17-18H2,1H3