N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-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)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

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