N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-tosyl-isonipecotamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H23BrN2O5S/c1-14-2-4-16(5-3-14)30(26,27)24-8-6-15(7-9-24)21(25)23-18-13-20-19(12-17(18)22)28-10-11-29-20/h2-5,12-13,15H,6-11H2,1H3,(H,23,25)