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

Systemtic Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H32N2O5S/c1-18-3-5-19(6-4-18)25(20-7-8-20)27-26(29)21-11-13-28(14-12-21)34(30,31)22-9-10-23-24(17-22)33-16-2-15-32-23/h3-6,9-10,17,20-21,25H,2,7-8,11-16H2,1H3,(H,27,29)/t25-/m1/s1