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

Systemtic Name: N-(2-benzamidoethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(2-benzamidoethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide CAS Name: N-(2-benzamidoethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Traditional Name: N-(2-benzamidoethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S/c28-22(18-5-2-1-3-6-18)24-9-10-25-23(29)26-11-13-27(14-12-26)34(30,31)19-7-8-20-21(17-19)33-16-4-15-32-20/h1-3,5-8,17H,4,9-16H2,(H,24,28)(H,25,29)