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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-phenylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-phenylphenyl)isonipecotamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C27H28N2O5S/c30-27(28-23-9-7-21(8-10-23)20-5-2-1-3-6-20)22-13-15-29(16-14-22)35(31,32)24-11-12-25-26(19-24)34-18-4-17-33-25/h1-3,5-12,19,22H,4,13-18H2,(H,28,30)