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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H31N3O6S/c1-32-22-8-6-20(16-24(22)35(30,31)28-9-3-2-4-10-28)25(29)27-13-11-26(12-14-27)17-19-5-7-21-23(15-19)34-18-33-21/h5-8,15-16H,2-4,9-14,17-18H2,1H3