N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-tosyl-piperazine-1-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N3O5S/c1-16-6-8-18(9-7-16)30(26,27)24-12-10-23(11-13-24)21(25)22-14-17-15-28-19-4-2-3-5-20(19)29-17/h2-9,17H,10-15H2,1H3,(H,22,25)