N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C26H27N3O5S/c30-26(27-21-10-11-24-25(19-21)34-17-5-16-33-24)20-6-4-9-23(18-20)35(31,32)29-14-12-28(13-15-29)22-7-2-1-3-8-22/h1-4,6-11,18-19H,5,12-17H2,(H,27,30)