N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylindol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylindol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylindol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1-methyl-5-indolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(1-methylindol-5-yl)sulfonyl-N-piperonyl-nipecotamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O5S/c1-25-10-8-17-12-19(5-6-20(17)25)32(28,29)26-9-2-3-18(14-26)23(27)24-13-16-4-7-21-22(11-16)31-15-30-21/h4-8,10-12,18H,2-3,9,13-15H2,1H3,(H,24,27)