4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridin-3-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridin-3-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(3-pyridyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(3-pyridinyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-pyridin-3-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(3-pyridyl)ethyl]piperazine-1-carboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)NCCC4=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)NCCC4=CN=CC=C4)OC1

InChI

InChI=1S/C21H26N4O5S/c26-21(23-8-6-17-3-1-7-22-16-17)24-9-11-25(12-10-24)31(27,28)18-4-5-19-20(15-18)30-14-2-13-29-19/h1,3-5,7,15-16H,2,6,8-14H2,(H,23,26)