N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C27H27ClN2O6S MolecularWeight: 543.03108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H27ClN2O6S/c1-18-2-5-21(6-3-18)36-24-8-4-20(28)16-23(24)29-27(31)19-10-12-30(13-11-19)37(32,33)22-7-9-25-26(17-22)35-15-14-34-25/h2-9,16-17,19H,10-15H2,1H3,(H,29,31)