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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methylpentyl)piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-isohexyl-piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methylpentyl)-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methylpentyl)piperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-isohexyl-piperazine-1-carboxamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)CCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H31N3O5S/c1-16(2)5-3-8-21-20(24)22-9-11-23(12-10-22)29(25,26)17-6-7-18-19(15-17)28-14-4-13-27-18/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,21,24)