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

Systemtic Name: N-[1-(3-chlorophenyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[1-(3-chlorophenyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-chlorophenyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(3-chlorophenyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[1-(3-chlorophenyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC(C1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29ClN2O5S/c1-2-21(18-5-3-6-19(25)15-18)26-24(28)17-9-11-27(12-10-17)33(29,30)20-7-8-22-23(16-20)32-14-4-13-31-22/h3,5-8,15-17,21H,2,4,9-14H2,1H3,(H,26,28)