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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: [1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]-(4-piperonylpiperazino)methanone Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H30ClN3O6S/c1-33-22-7-5-20(14-21(22)26)36(31,32)29-8-2-3-19(16-29)25(30)28-11-9-27(10-12-28)15-18-4-6-23-24(13-18)35-17-34-23/h4-7,13-14,19H,2-3,8-12,15-17H2,1H3