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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethyl-piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethylpiperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethyl-piperazine-1-carboxamide Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H23N3O5S/c1-2-17-16(20)18-6-8-19(9-7-18)25(21,22)13-4-5-14-15(12-13)24-11-3-10-23-14/h4-5,12H,2-3,6-11H2,1H3,(H,17,20)