N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-cyclohexylethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C23H34N2O5S MolecularWeight: 450.59146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H34N2O5S/c26-23(24-12-9-18-5-2-1-3-6-18)19-10-13-25(14-11-19)31(27,28)20-7-8-21-22(17-20)30-16-4-15-29-21/h7-8,17-19H,1-6,9-16H2,(H,24,26)