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

Systemtic Name: N-butan-2-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-sec-butyl-piperidine-4-carboxamide CAS Name: N-butan-2-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-butan-2-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-sec-butyl-isonipecotamide Formula: C26H34N2O5S MolecularWeight: 486.62356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H34N2O5S/c1-3-20(2)28(19-21-8-5-4-6-9-21)26(29)22-12-14-27(15-13-22)34(30,31)23-10-11-24-25(18-23)33-17-7-16-32-24/h4-6,8-11,18,20,22H,3,7,12-17,19H2,1-2H3