N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(5-methylthiophen-2-yl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(5-methylthiophen-2-yl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carboxamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H23N3O5S2/c1-14-3-6-18(28-14)29(24,25)22-9-7-21(8-10-22)19(23)20-15-4-5-16-17(13-15)27-12-2-11-26-16/h3-6,13H,2,7-12H2,1H3,(H,20,23)