[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-piperonylpiperazino)methanone Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H33N3O6S/c1-33-23-9-7-21(36(31,32)29-10-4-2-3-5-11-29)17-22(23)26(30)28-14-12-27(13-15-28)18-20-6-8-24-25(16-20)35-19-34-24/h6-9,16-17H,2-5,10-15,18-19H2,1H3