1-(1-ethylindol-5-yl)sulfonyl-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-ethylindol-5-yl)sulfonyl-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 1-(1-ethylindol-5-yl)sulfonyl-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide CAS Name: 1-[(1-ethyl-5-indolyl)sulfonyl]-N-[3-(propylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-ethylindol-5-yl)sulfonyl-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(propylthio)propyl]isonipecotamide Formula: C22H33N3O3S2 MolecularWeight: 451.64572

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC

Isomeric SMILES

CCCSCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC

InChI

InChI=1S/C22H33N3O3S2/c1-3-15-29-16-5-11-23-22(26)18-9-13-25(14-10-18)30(27,28)20-6-7-21-19(17-20)8-12-24(21)4-2/h6-8,12,17-18H,3-5,9-11,13-16H2,1-2H3,(H,23,26)