7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[4-(2-pyrimidyl)piperazino]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4)NC(=O)C1

InChI

InChI=1S/C18H21N5O3S/c24-17-4-1-3-14-13-15(5-6-16(14)21-17)27(25,26)23-11-9-22(10-12-23)18-19-7-2-8-20-18/h2,5-8,13H,1,3-4,9-12H2,(H,21,24)