N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-4-(4-tosylpiperazino)butyramide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29N3O6S/c1-18-3-6-20(7-4-18)34(30,31)27-13-11-26(12-14-27)24(29)10-9-23(28)25-19-5-8-21-22(17-19)33-16-2-15-32-21/h3-8,17H,2,9-16H2,1H3,(H,25,28)