1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(o-tolyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(o-tolyl)ethyl]isonipecotamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H30N2O5S/c1-17-6-3-4-7-21(17)18(2)25-24(27)19-10-12-26(13-11-19)32(28,29)20-8-9-22-23(16-20)31-15-5-14-30-22/h3-4,6-9,16,18-19H,5,10-15H2,1-2H3,(H,25,27)/t18-/m0/s1