N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzenesulfonamide

Systemtic Name: N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzenesulfonamide Openeye Name: N-[6-(4-isopropylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzenesulfonamide CAS Name: N-[6-(4-propan-2-yl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl]benzenesulfonamide IUPAC Name: N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzenesulfonamide Traditional Name: N-[6-(4-isopropylpiperazino)benzo[b][1,4]benzoxazepin-8-yl]benzenesulfonamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3S/c1-19(2)29-14-16-30(17-15-29)26-22-18-20(28-34(31,32)21-8-4-3-5-9-21)12-13-24(22)33-25-11-7-6-10-23(25)27-26/h3-13,18-19,28H,14-17H2,1-2H3