4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxypyridin-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxypyridin-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-4-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-4-pyridinyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxypyridin-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-4-pyridyl)methyl]piperazine-1-carboxamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=NC=CC(=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N4O6S/c1-29-20-13-16(5-6-22-20)15-23-21(26)24-7-9-25(10-8-24)32(27,28)17-3-4-18-19(14-17)31-12-2-11-30-18/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,26)