N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC1

InChI

InChI=1S/C24H25N5O5S/c30-23(28-11-13-29(14-12-28)24-25-9-1-10-26-24)18-3-5-19(6-4-18)27-35(31,32)20-7-8-21-22(17-20)34-16-2-15-33-21/h1,3-10,17,27H,2,11-16H2