N-[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H27N3O5S/c1-19-5-2-3-8-23(19)28-11-13-29(14-12-28)26(30)20-6-4-7-21(17-20)27-35(31,32)22-9-10-24-25(18-22)34-16-15-33-24/h2-10,17-18,27H,11-16H2,1H3