1-[3-(cyclopropylcarbamoyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonylpiperidine-3-carboxamide

Systemtic Name: 1-[3-(cyclopropylcarbamoyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonylpiperidine-3-carboxamide Openeye Name: 1-[3-(cyclopropylcarbamoyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonylpiperidine-3-carboxamide CAS Name: 1-[3-[(cyclopropylamino)-oxomethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(cyclopropylcarbamoyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: 1-[3-(cyclopropylcarbamoyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]sulfonylnipecotamide Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=C(C=C3)OCCO4)C(=O)NC5CC5)C(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=C(C=C3)OCCO4)C(=O)NC5CC5)C(=O)N

InChI

InChI=1S/C25H30N4O6S/c26-24(30)17-2-1-7-29(15-17)36(32,33)21-12-18(25(31)28-19-4-5-19)11-20(13-21)27-14-16-3-6-22-23(10-16)35-9-8-34-22/h3,6,10-13,17,19,27H,1-2,4-5,7-9,14-15H2,(H2,26,30)(H,28,31)