N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H32N2O6S/c1-3-31-21-6-8-22(9-7-21)34(29,30)27-13-11-19(12-14-27)25(28)26-18(2)20-5-10-23-24(17-20)33-16-4-15-32-23/h5-10,17-19H,3-4,11-16H2,1-2H3,(H,26,28)