N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27ClN2O6S/c1-15-12-19(21(30-2)14-18(15)24)25-23(27)16-6-8-26(9-7-16)33(28,29)17-4-5-20-22(13-17)32-11-3-10-31-20/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,25,27)