N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H27N3O5S/c1-23-9-7-18(15-23)30(26,27)24-10-5-17(6-11-24)21(25)22-8-4-16-2-3-19-20(14-16)29-13-12-28-19/h2-3,7,9,14-15,17H,4-6,8,10-13H2,1H3,(H,22,25)