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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-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)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H30ClN3O6S/c1-33-22-5-3-20(15-21(22)26)36(31,32)29-8-6-19(7-9-29)25(30)28-12-10-27(11-13-28)16-18-2-4-23-24(14-18)35-17-34-23/h2-5,14-15,19H,6-13,16-17H2,1H3