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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O5S/c1-23-8-10-24(11-9-23)30(26,27)18-5-2-4-16(14-18)21(25)22-17-6-7-19-20(15-17)29-13-3-12-28-19/h2,4-7,14-15H,3,8-13H2,1H3,(H,22,25)