N-[(3-chlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl)OC1

InChI

InChI=1S/C22H25ClN2O5S/c23-18-4-1-3-16(13-18)15-24-22(26)17-7-9-25(10-8-17)31(27,28)19-5-6-20-21(14-19)30-12-2-11-29-20/h1,3-6,13-14,17H,2,7-12,15H2,(H,24,26)