N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-cyclopropylthiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-cyclopropyl-2-thiazolyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-cyclopropylthiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5CC5)OC1

InChI

InChI=1S/C21H25N3O5S2/c25-20(23-21-22-17(13-30-21)14-2-3-14)15-6-8-24(9-7-15)31(26,27)16-4-5-18-19(12-16)29-11-1-10-28-18/h4-5,12-15H,1-3,6-11H2,(H,22,23,25)