N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-oxo-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[4-(1,3-benzoxazol-2-yl)piperidino]-4-keto-butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)OC1

InChI

InChI=1S/C25H29N3O6S/c29-24(28-13-10-18(11-14-28)25-27-20-5-1-2-6-21(20)34-25)7-3-12-26-35(30,31)19-8-9-22-23(17-19)33-16-4-15-32-22/h1-2,5-6,8-9,17-18,26H,3-4,7,10-16H2