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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

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