[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: [4-(4-methylpiperidino)sulfonylphenyl]-(4-piperonylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c1-19-8-10-28(11-9-19)34(30,31)22-5-3-21(4-6-22)25(29)27-14-12-26(13-15-27)17-20-2-7-23-24(16-20)33-18-32-23/h2-7,16,19H,8-15,17-18H2,1H3