[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-piperonylpiperazino)methanone Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H33N3O5S/c1-19-3-5-23(15-20(19)2)35(31,32)29-9-7-22(8-10-29)26(30)28-13-11-27(12-14-28)17-21-4-6-24-25(16-21)34-18-33-24/h3-6,15-16,22H,7-14,17-18H2,1-2H3